----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-08 06:24:49]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 1 2] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: I4/m (87) Number of symmetry operations in supercell: 32 ------------------------------ primitive cell ------------------------------ Lattice vectors: a -4.441375780000000 4.441375780000000 2.990979625000000 b 4.441375780000000 -4.441375780000000 2.990979625000000 c 4.441375780000000 4.441375780000000 -2.990979625000000 Atomic positions (fractional): *1 O 0.07053367348292 0.35494183812324 0.90652693785383 15.999 2 O 0.16400673562909 0.07053367348292 0.71559183535969 15.999 3 O 0.35494183812324 0.44841490026941 0.28440816464031 15.999 4 O 0.44841490026941 0.16400673562909 0.09347306214617 15.999 5 O 0.92946632651708 0.64505816187676 0.09347306214617 15.999 6 O 0.83599326437091 0.92946632651708 0.28440816464031 15.999 *7 O 0.75000000000000 0.25000000000000 0.50000000000000 15.999 8 O 0.25000000000000 0.75000000000000 0.50000000000000 15.999 9 O 0.55158509973059 0.83599326437091 0.90652693785383 15.999 10 O 0.64505816187676 0.55158509973059 0.71559183535969 15.999 *11 La 0.39502383492130 0.81781643866114 0.21284027358244 138.905 12 La 0.18218356133886 0.39502383492130 0.57720739626015 138.905 13 La 0.81781643866114 0.60497616507870 0.42279260373985 138.905 14 La 0.60497616507870 0.18218356133886 0.78715972641756 138.905 *15 Re 0.18895519606751 0.18895519606751 0.00000000000000 186.207 16 Re 0.81104480393249 0.81104480393249 0.00000000000000 186.207 -------------------------------- unit cell --------------------------------- Lattice vectors: a 8.882751559999999 0.000000000000000 0.000000000000000 b 0.000000000000000 8.882751559999999 0.000000000000000 c 0.000000000000000 0.000000000000000 5.981959250000000 Atomic positions (fractional): *1 O 0.59546755124707 0.31105938660676 0.75947428687617 15.999 > 1 2 O 0.81105938660676 0.90453244875293 0.25947428687616 15.999 > 2 3 O 0.18894061339324 0.09546755124707 0.25947428687616 15.999 > 3 4 O 0.40453244875293 0.68894061339324 0.75947428687617 15.999 > 4 5 O 0.40453244875293 0.68894061339324 0.24052571312383 15.999 > 5 6 O 0.18894061339324 0.09546755124707 0.74052571312383 15.999 > 6 *7 O 0.50000000000000 0.00000000000000 0.75000000000000 15.999 > 7 8 O 0.50000000000000 0.00000000000000 0.25000000000000 15.999 > 8 9 O 0.59546755124707 0.31105938660676 0.24052571312383 15.999 > 9 10 O 0.81105938660676 0.90453244875293 0.74052571312383 15.999 > 10 11 O 0.09546755124707 0.81105938660676 0.25947428687616 15.999 > 1 12 O 0.31105938660676 0.40453244875293 0.75947428687617 15.999 > 2 13 O 0.68894061339324 0.59546755124707 0.75947428687617 15.999 > 3 14 O 0.90453244875293 0.18894061339324 0.25947428687616 15.999 > 4 15 O 0.90453244875293 0.18894061339324 0.74052571312383 15.999 > 5 16 O 0.68894061339324 0.59546755124707 0.24052571312383 15.999 > 6 17 O 0.00000000000000 0.50000000000000 0.25000000000000 15.999 > 7 18 O 0.00000000000000 0.50000000000000 0.75000000000000 15.999 > 8 19 O 0.09546755124707 0.81105938660676 0.74052571312383 15.999 > 9 20 O 0.31105938660676 0.40453244875293 0.24052571312383 15.999 > 10 *21 La 0.31781643866114 0.89502383492130 0.50000000000000 138.905 > 11 22 La 0.39502383492130 0.18218356133886 0.00000000000000 138.905 > 12 23 La 0.60497616507870 0.81781643866114 0.00000000000000 138.905 > 13 24 La 0.68218356133886 0.10497616507870 0.50000000000000 138.905 > 14 25 La 0.81781643866114 0.39502383492130 0.00000000000000 138.905 > 11 26 La 0.89502383492130 0.68218356133886 0.50000000000000 138.905 > 12 27 La 0.10497616507870 0.31781643866114 0.50000000000000 138.905 > 13 28 La 0.18218356133886 0.60497616507870 0.00000000000000 138.905 > 14 *29 Re 0.00000000000000 0.00000000000000 0.18895519606751 186.207 > 15 30 Re 0.00000000000000 0.00000000000000 0.81104480393249 186.207 > 16 31 Re 0.50000000000000 0.50000000000000 0.68895519606751 186.207 > 15 32 Re 0.50000000000000 0.50000000000000 0.31104480393249 186.207 > 16 -------------------------------- super cell -------------------------------- Lattice vectors: a 8.882751559999999 0.000000000000000 0.000000000000000 b 0.000000000000000 8.882751559999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.963918500000000 Atomic positions (fractional): *1 O 0.59546755124707 0.31105938660676 0.37973714343808 15.999 > 1 2 O 0.59546755124707 0.31105938660676 0.87973714343808 15.999 > 1 3 O 0.81105938660676 0.90453244875293 0.12973714343808 15.999 > 2 4 O 0.81105938660676 0.90453244875293 0.62973714343808 15.999 > 2 5 O 0.18894061339324 0.09546755124707 0.12973714343808 15.999 > 3 6 O 0.18894061339324 0.09546755124707 0.62973714343808 15.999 > 3 7 O 0.40453244875293 0.68894061339324 0.37973714343808 15.999 > 4 8 O 0.40453244875293 0.68894061339324 0.87973714343808 15.999 > 4 9 O 0.40453244875293 0.68894061339324 0.12026285656192 15.999 > 5 10 O 0.40453244875293 0.68894061339324 0.62026285656192 15.999 > 5 11 O 0.18894061339324 0.09546755124707 0.37026285656192 15.999 > 6 12 O 0.18894061339324 0.09546755124707 0.87026285656192 15.999 > 6 *13 O 0.50000000000000 0.00000000000000 0.37500000000000 15.999 > 7 14 O 0.50000000000000 0.00000000000000 0.87500000000000 15.999 > 7 15 O 0.50000000000000 0.00000000000000 0.12500000000000 15.999 > 8 16 O 0.50000000000000 0.00000000000000 0.62500000000000 15.999 > 8 17 O 0.59546755124707 0.31105938660676 0.12026285656192 15.999 > 9 18 O 0.59546755124707 0.31105938660676 0.62026285656192 15.999 > 9 19 O 0.81105938660676 0.90453244875293 0.37026285656192 15.999 > 10 20 O 0.81105938660676 0.90453244875293 0.87026285656192 15.999 > 10 21 O 0.09546755124707 0.81105938660676 0.12973714343808 15.999 > 1 22 O 0.09546755124707 0.81105938660676 0.62973714343808 15.999 > 1 23 O 0.31105938660676 0.40453244875293 0.37973714343808 15.999 > 2 24 O 0.31105938660676 0.40453244875293 0.87973714343808 15.999 > 2 25 O 0.68894061339324 0.59546755124707 0.37973714343808 15.999 > 3 26 O 0.68894061339324 0.59546755124707 0.87973714343808 15.999 > 3 27 O 0.90453244875293 0.18894061339324 0.12973714343808 15.999 > 4 28 O 0.90453244875293 0.18894061339324 0.62973714343808 15.999 > 4 29 O 0.90453244875293 0.18894061339324 0.37026285656192 15.999 > 5 30 O 0.90453244875293 0.18894061339324 0.87026285656192 15.999 > 5 31 O 0.68894061339324 0.59546755124707 0.12026285656192 15.999 > 6 32 O 0.68894061339324 0.59546755124707 0.62026285656192 15.999 > 6 33 O 0.00000000000000 0.50000000000000 0.12500000000000 15.999 > 7 34 O 0.00000000000000 0.50000000000000 0.62500000000000 15.999 > 7 35 O 0.00000000000000 0.50000000000000 0.37500000000000 15.999 > 8 36 O 0.00000000000000 0.50000000000000 0.87500000000000 15.999 > 8 37 O 0.09546755124707 0.81105938660676 0.37026285656192 15.999 > 9 38 O 0.09546755124707 0.81105938660676 0.87026285656192 15.999 > 9 39 O 0.31105938660676 0.40453244875293 0.12026285656192 15.999 > 10 40 O 0.31105938660676 0.40453244875293 0.62026285656192 15.999 > 10 *41 La 0.31781643866114 0.89502383492130 0.25000000000000 138.905 > 11 42 La 0.31781643866114 0.89502383492130 0.75000000000000 138.905 > 11 43 La 0.39502383492130 0.18218356133886 0.00000000000000 138.905 > 12 44 La 0.39502383492130 0.18218356133886 0.50000000000000 138.905 > 12 45 La 0.60497616507870 0.81781643866114 0.00000000000000 138.905 > 13 46 La 0.60497616507870 0.81781643866114 0.50000000000000 138.905 > 13 47 La 0.68218356133886 0.10497616507870 0.25000000000000 138.905 > 14 48 La 0.68218356133886 0.10497616507870 0.75000000000000 138.905 > 14 49 La 0.81781643866114 0.39502383492130 0.00000000000000 138.905 > 11 50 La 0.81781643866114 0.39502383492130 0.50000000000000 138.905 > 11 51 La 0.89502383492130 0.68218356133886 0.25000000000000 138.905 > 12 52 La 0.89502383492130 0.68218356133886 0.75000000000000 138.905 > 12 53 La 0.10497616507870 0.31781643866114 0.25000000000000 138.905 > 13 54 La 0.10497616507870 0.31781643866114 0.75000000000000 138.905 > 13 55 La 0.18218356133886 0.60497616507870 0.00000000000000 138.905 > 14 56 La 0.18218356133886 0.60497616507870 0.50000000000000 138.905 > 14 *57 Re 0.00000000000000 0.00000000000000 0.09447759803375 186.207 > 15 58 Re 0.00000000000000 0.00000000000000 0.59447759803375 186.207 > 15 59 Re 0.00000000000000 0.00000000000000 0.40552240196625 186.207 > 16 60 Re 0.00000000000000 0.00000000000000 0.90552240196625 186.207 > 16 61 Re 0.50000000000000 0.50000000000000 0.34447759803375 186.207 > 15 62 Re 0.50000000000000 0.50000000000000 0.84447759803375 186.207 > 15 63 Re 0.50000000000000 0.50000000000000 0.15552240196625 186.207 > 16 64 Re 0.50000000000000 0.50000000000000 0.65552240196625 186.207 > 16 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.4484020 -0.0004164 0.0000000 0.0004164 5.4484020 0.0000000 0.0000000 0.0000000 5.4266741 -------------------------- Born effective charges -------------------------- 1 O -2.4062484 0.6424293 -0.1833311 0.7250539 -3.4148519 0.3878108 -0.5023338 0.8184189 -1.5234350 2 O -3.4148519 -0.7250539 0.3878108 -0.6424293 -2.4062484 0.1833311 0.8184189 0.5023338 -1.5234350 3 O -3.4148519 -0.7250539 -0.3878108 -0.6424293 -2.4062484 -0.1833311 -0.8184189 -0.5023338 -1.5234350 4 O -2.4062484 0.6424293 0.1833311 0.7250539 -3.4148519 -0.3878108 0.5023338 -0.8184189 -1.5234350 5 O -2.4062484 0.6424293 -0.1833311 0.7250539 -3.4148519 0.3878108 -0.5023338 0.8184189 -1.5234350 6 O -3.4148519 -0.7250539 0.3878108 -0.6424293 -2.4062484 0.1833311 0.8184189 0.5023338 -1.5234350 7 O -2.8345193 0.0547111 0.0000000 -0.0547111 -2.8345193 -0.0000000 0.0000000 0.0000000 -3.0303177 8 O -2.8345193 0.0547111 0.0000000 -0.0547111 -2.8345193 -0.0000000 0.0000000 0.0000000 -3.0303177 9 O -2.4062484 0.6424293 0.1833311 0.7250539 -3.4148519 -0.3878108 0.5023338 -0.8184189 -1.5234350 10 O -3.4148519 -0.7250539 -0.3878108 -0.6424293 -2.4062484 -0.1833311 -0.8184189 -0.5023338 -1.5234350 11 La 5.0887659 -0.4858076 0.0000000 -0.5165919 4.0801106 -0.0000000 0.0000000 0.0000000 4.5645494 12 La 4.0801106 0.5165919 0.0000000 0.4858076 5.0887659 -0.0000000 0.0000000 0.0000000 4.5645494 13 La 4.0801106 0.5165919 0.0000000 0.4858076 5.0887659 -0.0000000 0.0000000 0.0000000 4.5645494 14 La 5.0887659 -0.4858076 0.0000000 -0.5165919 4.0801106 -0.0000000 0.0000000 0.0000000 4.5645494 15 Re 5.3078435 0.0797538 0.0000000 -0.0797538 5.3078435 -0.0000000 0.0000000 0.0000000 -0.0050410 16 Re 5.3078435 0.0797538 0.0000000 -0.0797538 5.3078435 -0.0000000 0.0000000 0.0000000 -0.0050410 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 192/192 Permutation basis: 5736/5736 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 618 Number of blocks in projector: 618 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 232 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 164 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 134 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 88 Use standard eigh solver. Tree of FC basis block matrices: - (618, 599), data: False |-- (88, 84), data: True |-- (134, 129), data: True |-- (164, 158), data: True |-- (232, 228), data: True ----- Solver_atoms: 1 -- 64 / 64 Time (Solver_compr_matrix_reshape): 0.002 Solver_block: 100 / 240 - Time: 0.313 Solver_block: 200 / 240 - Time: 0.328 Solver_block: 240 / 240 - Time: 0.153 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 0.808 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (zz) 0.00000000 (zz) Permutation basis: 192/192 Permutation basis: 5736/5736 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 618 Number of blocks in projector: 618 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 4 --- Eigsh_solver_block: 1 / 4 --- Block_size: 232 Use standard eigh solver. --- Eigsh_solver_block: 2 / 4 --- Block_size: 164 Use standard eigh solver. --- Eigsh_solver_block: 3 / 4 --- Block_size: 134 Use standard eigh solver. --- Eigsh_solver_block: 4 / 4 --- Block_size: 88 Use standard eigh solver. Tree of FC basis block matrices: - (618, 599), data: False |-- (88, 84), data: True |-- (134, 129), data: True |-- (164, 158), data: True |-- (232, 228), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-08 06:24:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 06:24:56]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 1 2] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: I4/m (87) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -4.441375780000000 4.441375780000000 2.990979625000000 b 4.441375780000000 -4.441375780000000 2.990979625000000 c 4.441375780000000 4.441375780000000 -2.990979625000000 Atomic positions (fractional): 1 O 0.07053367348292 0.35494183812324 0.90652693785383 15.999 2 O 0.16400673562909 0.07053367348292 0.71559183535969 15.999 3 O 0.35494183812324 0.44841490026941 0.28440816464031 15.999 4 O 0.44841490026941 0.16400673562909 0.09347306214617 15.999 5 O 0.92946632651708 0.64505816187676 0.09347306214617 15.999 6 O 0.83599326437091 0.92946632651708 0.28440816464031 15.999 7 O 0.75000000000000 0.25000000000000 0.50000000000000 15.999 8 O 0.25000000000000 0.75000000000000 0.50000000000000 15.999 9 O 0.55158509973059 0.83599326437091 0.90652693785383 15.999 10 O 0.64505816187676 0.55158509973059 0.71559183535969 15.999 11 La 0.39502383492130 0.81781643866114 0.21284027358244 138.905 12 La 0.18218356133886 0.39502383492130 0.57720739626015 138.905 13 La 0.81781643866114 0.60497616507870 0.42279260373985 138.905 14 La 0.60497616507870 0.18218356133886 0.78715972641756 138.905 15 Re 0.18895519606751 0.18895519606751 0.00000000000000 186.207 16 Re 0.81104480393249 0.81104480393249 0.00000000000000 186.207 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.882751559999999 0.000000000000000 0.000000000000000 b 0.000000000000000 8.882751559999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.963918500000000 Atomic positions (fractional): 1 O 0.59546755124707 0.31105938660676 0.37973714343808 15.999 > 1 2 O 0.59546755124707 0.31105938660676 0.87973714343808 15.999 > 1 3 O 0.81105938660676 0.90453244875293 0.12973714343808 15.999 > 3 4 O 0.81105938660676 0.90453244875293 0.62973714343808 15.999 > 3 5 O 0.18894061339324 0.09546755124707 0.12973714343808 15.999 > 5 6 O 0.18894061339324 0.09546755124707 0.62973714343808 15.999 > 5 7 O 0.40453244875293 0.68894061339324 0.37973714343808 15.999 > 7 8 O 0.40453244875293 0.68894061339324 0.87973714343808 15.999 > 7 9 O 0.40453244875293 0.68894061339324 0.12026285656192 15.999 > 9 10 O 0.40453244875293 0.68894061339324 0.62026285656192 15.999 > 9 11 O 0.18894061339324 0.09546755124707 0.37026285656192 15.999 > 11 12 O 0.18894061339324 0.09546755124707 0.87026285656192 15.999 > 11 13 O 0.50000000000000 0.00000000000000 0.37500000000000 15.999 > 13 14 O 0.50000000000000 0.00000000000000 0.87500000000000 15.999 > 13 15 O 0.50000000000000 0.00000000000000 0.12500000000000 15.999 > 15 16 O 0.50000000000000 0.00000000000000 0.62500000000000 15.999 > 15 17 O 0.59546755124707 0.31105938660676 0.12026285656192 15.999 > 17 18 O 0.59546755124707 0.31105938660676 0.62026285656192 15.999 > 17 19 O 0.81105938660676 0.90453244875293 0.37026285656192 15.999 > 19 20 O 0.81105938660676 0.90453244875293 0.87026285656192 15.999 > 19 21 O 0.09546755124707 0.81105938660676 0.12973714343808 15.999 > 1 22 O 0.09546755124707 0.81105938660676 0.62973714343808 15.999 > 1 23 O 0.31105938660676 0.40453244875293 0.37973714343808 15.999 > 3 24 O 0.31105938660676 0.40453244875293 0.87973714343808 15.999 > 3 25 O 0.68894061339324 0.59546755124707 0.37973714343808 15.999 > 5 26 O 0.68894061339324 0.59546755124707 0.87973714343808 15.999 > 5 27 O 0.90453244875293 0.18894061339324 0.12973714343808 15.999 > 7 28 O 0.90453244875293 0.18894061339324 0.62973714343808 15.999 > 7 29 O 0.90453244875293 0.18894061339324 0.37026285656192 15.999 > 9 30 O 0.90453244875293 0.18894061339324 0.87026285656192 15.999 > 9 31 O 0.68894061339324 0.59546755124707 0.12026285656192 15.999 > 11 32 O 0.68894061339324 0.59546755124707 0.62026285656192 15.999 > 11 33 O 0.00000000000000 0.50000000000000 0.12500000000000 15.999 > 13 34 O 0.00000000000000 0.50000000000000 0.62500000000000 15.999 > 13 35 O 0.00000000000000 0.50000000000000 0.37500000000000 15.999 > 15 36 O 0.00000000000000 0.50000000000000 0.87500000000000 15.999 > 15 37 O 0.09546755124707 0.81105938660676 0.37026285656192 15.999 > 17 38 O 0.09546755124707 0.81105938660676 0.87026285656192 15.999 > 17 39 O 0.31105938660676 0.40453244875293 0.12026285656192 15.999 > 19 40 O 0.31105938660676 0.40453244875293 0.62026285656192 15.999 > 19 41 La 0.31781643866114 0.89502383492130 0.25000000000000 138.905 > 41 42 La 0.31781643866114 0.89502383492130 0.75000000000000 138.905 > 41 43 La 0.39502383492130 0.18218356133886 0.00000000000000 138.905 > 43 44 La 0.39502383492130 0.18218356133886 0.50000000000000 138.905 > 43 45 La 0.60497616507870 0.81781643866114 0.00000000000000 138.905 > 45 46 La 0.60497616507870 0.81781643866114 0.50000000000000 138.905 > 45 47 La 0.68218356133886 0.10497616507870 0.25000000000000 138.905 > 47 48 La 0.68218356133886 0.10497616507870 0.75000000000000 138.905 > 47 49 La 0.81781643866114 0.39502383492130 0.00000000000000 138.905 > 41 50 La 0.81781643866114 0.39502383492130 0.50000000000000 138.905 > 41 51 La 0.89502383492130 0.68218356133886 0.25000000000000 138.905 > 43 52 La 0.89502383492130 0.68218356133886 0.75000000000000 138.905 > 43 53 La 0.10497616507870 0.31781643866114 0.25000000000000 138.905 > 45 54 La 0.10497616507870 0.31781643866114 0.75000000000000 138.905 > 45 55 La 0.18218356133886 0.60497616507870 0.00000000000000 138.905 > 47 56 La 0.18218356133886 0.60497616507870 0.50000000000000 138.905 > 47 57 Re 0.00000000000000 0.00000000000000 0.09447759803375 186.207 > 57 58 Re 0.00000000000000 0.00000000000000 0.59447759803375 186.207 > 57 59 Re 0.00000000000000 0.00000000000000 0.40552240196625 186.207 > 59 60 Re 0.00000000000000 0.00000000000000 0.90552240196625 186.207 > 59 61 Re 0.50000000000000 0.50000000000000 0.34447759803375 186.207 > 57 62 Re 0.50000000000000 0.50000000000000 0.84447759803375 186.207 > 57 63 Re 0.50000000000000 0.50000000000000 0.15552240196625 186.207 > 59 64 Re 0.50000000000000 0.50000000000000 0.65552240196625 186.207 > 59 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 5.4484020 -0.0004164 0.0000000 0.0004164 5.4484020 0.0000000 0.0000000 0.0000000 5.4266741 -------------------------- Born effective charges -------------------------- 1 O -2.4062484 0.6424293 -0.1833311 0.7250539 -3.4148519 0.3878108 -0.5023338 0.8184189 -1.5234350 2 O -3.4148519 -0.7250539 0.3878108 -0.6424293 -2.4062484 0.1833311 0.8184189 0.5023338 -1.5234350 3 O -3.4148519 -0.7250539 -0.3878108 -0.6424293 -2.4062484 -0.1833311 -0.8184189 -0.5023338 -1.5234350 4 O -2.4062484 0.6424293 0.1833311 0.7250539 -3.4148519 -0.3878108 0.5023338 -0.8184189 -1.5234350 5 O -2.4062484 0.6424293 -0.1833311 0.7250539 -3.4148519 0.3878108 -0.5023338 0.8184189 -1.5234350 6 O -3.4148519 -0.7250539 0.3878108 -0.6424293 -2.4062484 0.1833311 0.8184189 0.5023338 -1.5234350 7 O -2.8345193 0.0547111 0.0000000 -0.0547111 -2.8345193 -0.0000000 0.0000000 0.0000000 -3.0303177 8 O -2.8345193 0.0547111 0.0000000 -0.0547111 -2.8345193 -0.0000000 0.0000000 0.0000000 -3.0303177 9 O -2.4062484 0.6424293 0.1833311 0.7250539 -3.4148519 -0.3878108 0.5023338 -0.8184189 -1.5234350 10 O -3.4148519 -0.7250539 -0.3878108 -0.6424293 -2.4062484 -0.1833311 -0.8184189 -0.5023338 -1.5234350 11 La 5.0887659 -0.4858076 0.0000000 -0.5165919 4.0801106 -0.0000000 0.0000000 0.0000000 4.5645494 12 La 4.0801106 0.5165919 0.0000000 0.4858076 5.0887659 -0.0000000 0.0000000 0.0000000 4.5645494 13 La 4.0801106 0.5165919 0.0000000 0.4858076 5.0887659 -0.0000000 0.0000000 0.0000000 4.5645494 14 La 5.0887659 -0.4858076 0.0000000 -0.5165919 4.0801106 -0.0000000 0.0000000 0.0000000 4.5645494 15 Re 5.3078435 0.0797538 0.0000000 -0.0797538 5.3078435 -0.0000000 0.0000000 0.0000000 -0.0050410 16 Re 5.3078435 0.0797538 0.0000000 -0.0797538 5.3078435 -0.0000000 0.0000000 0.0000000 -0.0050410 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 13, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 41, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 57, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000004 (zzz) 0.00000004 (zzz) 0.00000004 (zzz) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (yx) 0.00000000 (yx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 06:25:02]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-08 06:25:02]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 1 2] Primitive matrix: [-0.5 0.5 0.5] [ 0.5 -0.5 0.5] [ 0.5 0.5 -0.5] Spacegroup: I4/m (87) ------------------------------ primitive cell ------------------------------ Lattice vectors: a -4.441375780000000 4.441375780000000 2.990979625000000 b 4.441375780000000 -4.441375780000000 2.990979625000000 c 4.441375780000000 4.441375780000000 -2.990979625000000 Atomic positions (fractional): 1 O 0.07053367348292 0.35494183812324 0.90652693785383 15.999 2 O 0.16400673562909 0.07053367348292 0.71559183535969 15.999 3 O 0.35494183812324 0.44841490026941 0.28440816464031 15.999 4 O 0.44841490026941 0.16400673562909 0.09347306214617 15.999 5 O 0.92946632651708 0.64505816187676 0.09347306214617 15.999 6 O 0.83599326437091 0.92946632651708 0.28440816464031 15.999 7 O 0.75000000000000 0.25000000000000 0.50000000000000 15.999 8 O 0.25000000000000 0.75000000000000 0.50000000000000 15.999 9 O 0.55158509973059 0.83599326437091 0.90652693785383 15.999 10 O 0.64505816187676 0.55158509973059 0.71559183535969 15.999 11 La 0.39502383492130 0.81781643866114 0.21284027358244 138.905 12 La 0.18218356133886 0.39502383492130 0.57720739626015 138.905 13 La 0.81781643866114 0.60497616507870 0.42279260373985 138.905 14 La 0.60497616507870 0.18218356133886 0.78715972641756 138.905 15 Re 0.18895519606751 0.18895519606751 0.00000000000000 186.207 16 Re 0.81104480393249 0.81104480393249 0.00000000000000 186.207 -------------------------------- supercell --------------------------------- Lattice vectors: a 8.882751559999999 0.000000000000000 0.000000000000000 b 0.000000000000000 8.882751559999999 0.000000000000000 c 0.000000000000000 0.000000000000000 11.963918500000000 Atomic positions (fractional): 1 O 0.59546755124707 0.31105938660676 0.37973714343808 15.999 > 1 2 O 0.59546755124707 0.31105938660676 0.87973714343808 15.999 > 1 3 O 0.81105938660676 0.90453244875293 0.12973714343808 15.999 > 3 4 O 0.81105938660676 0.90453244875293 0.62973714343808 15.999 > 3 5 O 0.18894061339324 0.09546755124707 0.12973714343808 15.999 > 5 6 O 0.18894061339324 0.09546755124707 0.62973714343808 15.999 > 5 7 O 0.40453244875293 0.68894061339324 0.37973714343808 15.999 > 7 8 O 0.40453244875293 0.68894061339324 0.87973714343808 15.999 > 7 9 O 0.40453244875293 0.68894061339324 0.12026285656192 15.999 > 9 10 O 0.40453244875293 0.68894061339324 0.62026285656192 15.999 > 9 11 O 0.18894061339324 0.09546755124707 0.37026285656192 15.999 > 11 12 O 0.18894061339324 0.09546755124707 0.87026285656192 15.999 > 11 13 O 0.50000000000000 0.00000000000000 0.37500000000000 15.999 > 13 14 O 0.50000000000000 0.00000000000000 0.87500000000000 15.999 > 13 15 O 0.50000000000000 0.00000000000000 0.12500000000000 15.999 > 15 16 O 0.50000000000000 0.00000000000000 0.62500000000000 15.999 > 15 17 O 0.59546755124707 0.31105938660676 0.12026285656192 15.999 > 17 18 O 0.59546755124707 0.31105938660676 0.62026285656192 15.999 > 17 19 O 0.81105938660676 0.90453244875293 0.37026285656192 15.999 > 19 20 O 0.81105938660676 0.90453244875293 0.87026285656192 15.999 > 19 21 O 0.09546755124707 0.81105938660676 0.12973714343808 15.999 > 1 22 O 0.09546755124707 0.81105938660676 0.62973714343808 15.999 > 1 23 O 0.31105938660676 0.40453244875293 0.37973714343808 15.999 > 3 24 O 0.31105938660676 0.40453244875293 0.87973714343808 15.999 > 3 25 O 0.68894061339324 0.59546755124707 0.37973714343808 15.999 > 5 26 O 0.68894061339324 0.59546755124707 0.87973714343808 15.999 > 5 27 O 0.90453244875293 0.18894061339324 0.12973714343808 15.999 > 7 28 O 0.90453244875293 0.18894061339324 0.62973714343808 15.999 > 7 29 O 0.90453244875293 0.18894061339324 0.37026285656192 15.999 > 9 30 O 0.90453244875293 0.18894061339324 0.87026285656192 15.999 > 9 31 O 0.68894061339324 0.59546755124707 0.12026285656192 15.999 > 11 32 O 0.68894061339324 0.59546755124707 0.62026285656192 15.999 > 11 33 O 0.00000000000000 0.50000000000000 0.12500000000000 15.999 > 13 34 O 0.00000000000000 0.50000000000000 0.62500000000000 15.999 > 13 35 O 0.00000000000000 0.50000000000000 0.37500000000000 15.999 > 15 36 O 0.00000000000000 0.50000000000000 0.87500000000000 15.999 > 15 37 O 0.09546755124707 0.81105938660676 0.37026285656192 15.999 > 17 38 O 0.09546755124707 0.81105938660676 0.87026285656192 15.999 > 17 39 O 0.31105938660676 0.40453244875293 0.12026285656192 15.999 > 19 40 O 0.31105938660676 0.40453244875293 0.62026285656192 15.999 > 19 41 La 0.31781643866114 0.89502383492130 0.25000000000000 138.905 > 41 42 La 0.31781643866114 0.89502383492130 0.75000000000000 138.905 > 41 43 La 0.39502383492130 0.18218356133886 0.00000000000000 138.905 > 43 44 La 0.39502383492130 0.18218356133886 0.50000000000000 138.905 > 43 45 La 0.60497616507870 0.81781643866114 0.00000000000000 138.905 > 45 46 La 0.60497616507870 0.81781643866114 0.50000000000000 138.905 > 45 47 La 0.68218356133886 0.10497616507870 0.25000000000000 138.905 > 47 48 La 0.68218356133886 0.10497616507870 0.75000000000000 138.905 > 47 49 La 0.81781643866114 0.39502383492130 0.00000000000000 138.905 > 41 50 La 0.81781643866114 0.39502383492130 0.50000000000000 138.905 > 41 51 La 0.89502383492130 0.68218356133886 0.25000000000000 138.905 > 43 52 La 0.89502383492130 0.68218356133886 0.75000000000000 138.905 > 43 53 La 0.10497616507870 0.31781643866114 0.25000000000000 138.905 > 45 54 La 0.10497616507870 0.31781643866114 0.75000000000000 138.905 > 45 55 La 0.18218356133886 0.60497616507870 0.00000000000000 138.905 > 47 56 La 0.18218356133886 0.60497616507870 0.50000000000000 138.905 > 47 57 Re 0.00000000000000 0.00000000000000 0.09447759803375 186.207 > 57 58 Re 0.00000000000000 0.00000000000000 0.59447759803375 186.207 > 57 59 Re 0.00000000000000 0.00000000000000 0.40552240196625 186.207 > 59 60 Re 0.00000000000000 0.00000000000000 0.90552240196625 186.207 > 59 61 Re 0.50000000000000 0.50000000000000 0.34447759803375 186.207 > 57 62 Re 0.50000000000000 0.50000000000000 0.84447759803375 186.207 > 57 63 Re 0.50000000000000 0.50000000000000 0.15552240196625 186.207 > 59 64 Re 0.50000000000000 0.50000000000000 0.65552240196625 186.207 > 59 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 5.4484020 -0.0004164 0.0000000 0.0004164 5.4484020 0.0000000 0.0000000 0.0000000 5.4266741 -------------------------- Born effective charges -------------------------- 1 O -2.4062484 0.6424293 -0.1833311 0.7250539 -3.4148519 0.3878108 -0.5023338 0.8184189 -1.5234350 2 O -3.4148519 -0.7250539 0.3878108 -0.6424293 -2.4062484 0.1833311 0.8184189 0.5023338 -1.5234350 3 O -3.4148519 -0.7250539 -0.3878108 -0.6424293 -2.4062484 -0.1833311 -0.8184189 -0.5023338 -1.5234350 4 O -2.4062484 0.6424293 0.1833311 0.7250539 -3.4148519 -0.3878108 0.5023338 -0.8184189 -1.5234350 5 O -2.4062484 0.6424293 -0.1833311 0.7250539 -3.4148519 0.3878108 -0.5023338 0.8184189 -1.5234350 6 O -3.4148519 -0.7250539 0.3878108 -0.6424293 -2.4062484 0.1833311 0.8184189 0.5023338 -1.5234350 7 O -2.8345193 0.0547111 0.0000000 -0.0547111 -2.8345193 -0.0000000 0.0000000 0.0000000 -3.0303177 8 O -2.8345193 0.0547111 0.0000000 -0.0547111 -2.8345193 -0.0000000 0.0000000 0.0000000 -3.0303177 9 O -2.4062484 0.6424293 0.1833311 0.7250539 -3.4148519 -0.3878108 0.5023338 -0.8184189 -1.5234350 10 O -3.4148519 -0.7250539 -0.3878108 -0.6424293 -2.4062484 -0.1833311 -0.8184189 -0.5023338 -1.5234350 11 La 5.0887659 -0.4858076 0.0000000 -0.5165919 4.0801106 -0.0000000 0.0000000 0.0000000 4.5645494 12 La 4.0801106 0.5165919 0.0000000 0.4858076 5.0887659 -0.0000000 0.0000000 0.0000000 4.5645494 13 La 4.0801106 0.5165919 0.0000000 0.4858076 5.0887659 -0.0000000 0.0000000 0.0000000 4.5645494 14 La 5.0887659 -0.4858076 0.0000000 -0.5165919 4.0801106 -0.0000000 0.0000000 0.0000000 4.5645494 15 Re 5.3078435 0.0797538 0.0000000 -0.0797538 5.3078435 -0.0000000 0.0000000 0.0000000 -0.0050410 16 Re 5.3078435 0.0797538 0.0000000 -0.0797538 5.3078435 -0.0000000 0.0000000 0.0000000 -0.0050410 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000004 (zzz) 0.00000004 (zzz) 0.00000004 (zzz) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... Generalized regular grid: [ 2 6 48 ] Grid generation matrix: [ 0 6 6 ] [ -6 0 -6 ] [ -8 -8 0 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.67, Number of G-points: 301, Lambda: 0.16 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/91) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 3.007 ( 0.000 0.000 0.000) 0.000 3.097 ( 0.000 0.000 0.000) 0.000 3.097 ( 0.000 0.000 0.000) 0.000 3.112 ( 0.000 0.000 0.000) 0.000 3.112 ( 0.000 0.000 0.000) 0.000 3.355 ( 0.000 0.000 0.000) 0.000 3.824 ( 0.000 0.000 0.000) 0.000 4.340 ( 0.000 0.000 0.000) 0.000 4.340 ( 0.000 0.000 0.000) 0.000 4.497 ( 0.000 0.000 0.000) 0.000 4.668 ( 0.000 0.000 0.000) 0.000 4.668 ( 0.000 0.000 0.000) 0.000 4.688 ( 0.000 0.000 0.000) 0.000 6.057 ( 0.000 0.000 0.000) 0.000 6.275 ( 0.000 0.000 0.000) 0.000 6.991 ( 0.000 0.000 0.000) 0.000 6.991 ( 0.000 0.000 0.000) 0.000 7.247 ( 0.000 0.000 0.000) 0.000 7.337 ( 0.000 0.000 0.000) 0.000 8.286 ( 0.000 0.000 0.000) 0.000 8.286 ( 0.000 0.000 0.000) 0.000 8.464 ( 0.000 0.000 0.000) 0.000 8.774 ( 0.000 0.000 0.000) 0.000 8.774 ( 0.000 0.000 0.000) 0.000 8.854 ( 0.000 0.000 0.000) 0.000 9.702 ( 0.000 0.000 0.000) 0.000 9.778 ( 0.000 0.000 0.000) 0.000 9.862 ( 0.000 0.000 0.000) 0.000 9.862 ( 0.000 0.000 0.000) 0.000 11.205 ( 0.000 0.000 0.000) 0.000 11.205 ( 0.000 0.000 0.000) 0.000 11.458 ( 0.000 0.000 0.000) 0.000 12.466 ( 0.000 0.000 0.000) 0.000 12.900 ( 0.000 0.000 0.000) 0.000 12.900 ( 0.000 0.000 0.000) 0.000 13.011 ( 0.000 0.000 0.000) 0.000 14.542 ( 0.000 0.000 0.000) 0.000 14.585 ( 0.000 0.000 0.000) 0.000 16.981 ( 0.000 0.000 0.000) 0.000 16.981 ( 0.000 0.000 0.000) 0.000 17.471 ( 0.000 0.000 0.000) 0.000 17.471 ( 0.000 0.000 0.000) 0.000 18.525 ( 0.000 0.000 0.000) 0.000 19.443 ( 0.000 0.000 0.000) 0.000 22.675 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/91) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 Number of triplets: 146 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.985 ( 0.000 0.000 0.000) 0.000 2.354 ( 0.000 0.000 0.000) 0.000 2.399 ( 0.000 0.000 0.000) 0.000 2.536 ( -0.000 0.000 0.000) 0.000 2.613 ( -0.000 -0.000 -0.000) 0.000 2.865 ( 0.000 0.000 0.000) 0.000 2.968 ( -0.000 0.000 0.000) 0.000 3.128 ( 0.000 0.000 0.000) 0.000 3.502 ( -0.000 0.000 0.000) 0.000 4.043 ( 0.000 -0.000 0.000) 0.000 4.115 ( -0.000 0.000 -0.000) 0.000 4.145 ( -0.000 0.000 0.000) 0.000 4.393 ( -0.000 0.000 0.000) 0.000 4.782 ( 0.000 0.000 0.000) 0.000 5.307 ( 0.000 0.000 0.000) 0.000 5.443 ( -0.000 -0.000 0.000) 0.000 5.683 ( 0.000 0.000 0.000) 0.000 6.445 ( -0.000 -0.000 0.000) 0.000 6.599 ( -0.000 0.000 0.000) 0.000 6.898 ( 0.000 0.000 0.000) 0.000 6.946 ( -0.000 0.000 0.000) 0.000 7.053 ( 0.000 0.000 0.000) 0.000 7.978 ( 0.000 0.000 0.000) 0.000 8.657 ( 0.000 0.000 0.000) 0.000 8.954 ( 0.000 0.000 0.000) 0.000 9.127 ( -0.000 -0.000 0.000) 0.000 9.510 ( 0.000 0.000 0.000) 0.000 9.607 ( 0.000 0.000 0.000) 0.000 9.784 ( -0.000 -0.000 0.000) 0.000 10.158 ( 0.000 -0.000 0.000) 0.000 10.237 ( 0.000 0.000 0.000) 0.000 10.391 ( -0.000 0.000 0.000) 0.000 10.731 ( -0.000 -0.000 0.000) 0.000 10.885 ( 0.000 0.000 0.000) 0.000 11.198 ( -0.000 0.000 0.000) 0.000 12.360 ( 0.000 -0.000 0.000) 0.000 12.374 ( -0.000 0.000 0.000) 0.000 13.332 ( 0.000 0.000 0.000) 0.000 13.485 ( 0.000 0.000 0.000) 0.000 14.249 ( -0.000 0.000 0.000) 0.000 16.225 ( -0.000 0.000 -0.000) 0.000 16.811 ( -0.000 0.000 0.000) 0.000 17.208 ( -0.000 0.000 -0.000) 0.000 17.834 ( 0.000 0.000 0.000) 0.000 17.984 ( -0.000 0.000 0.000) 0.000 18.650 ( -0.000 0.000 0.000) 0.000 20.504 ( 0.000 0.000 0.000) 0.000 22.292 ( -0.000 0.000 0.000) 0.000 ======================= Grid point 3 (3/91) ======================= q-point: (-0.50 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.078 ( 1.626 6.341 -12.972) 14.530 2.270 ( -4.623 -3.913 -11.804) 13.267 2.384 ( -3.885 1.943 5.163) 6.748 2.496 ( 0.207 1.203 7.305) 7.406 2.663 ( -3.199 4.696 1.193) 5.806 2.775 ( -1.941 -0.127 3.324) 3.852 3.010 ( -10.695 1.500 1.791) 10.947 3.118 ( 0.999 7.605 2.906) 8.203 3.561 ( 6.761 -2.735 1.037) 7.366 3.959 ( 3.318 -10.337 -0.794) 10.885 4.109 ( 5.320 -3.873 -5.709) 8.712 4.284 ( 4.226 4.602 -4.850) 7.909 4.329 ( 4.644 -8.678 1.924) 10.029 4.931 ( 2.358 10.242 -1.799) 10.663 5.103 ( -12.778 -2.879 4.357) 13.804 5.546 ( 6.829 -1.196 -1.461) 7.085 5.641 ( 0.858 -4.677 -2.114) 5.204 6.370 ( -6.071 2.795 -0.211) 6.687 6.679 ( -0.026 5.926 -1.617) 6.142 6.811 ( -5.513 -0.957 1.330) 5.751 6.967 ( -3.287 4.378 2.630) 6.074 7.117 ( 4.349 -1.887 0.144) 4.743 7.990 ( -1.821 2.814 -1.671) 3.745 8.733 ( 4.177 0.397 1.942) 4.623 9.069 ( 11.236 -9.243 -7.788) 16.502 9.146 ( 16.830 -3.143 -3.216) 17.420 9.426 ( -0.532 -9.106 0.599) 9.142 9.549 ( 1.500 -6.805 4.847) 8.488 9.714 ( 2.642 -5.357 -1.654) 6.198 9.821 ( 0.583 -16.060 -2.336) 16.240 10.431 ( -5.867 12.006 8.198) 15.678 10.564 ( -7.193 -1.284 -5.916) 9.401 10.662 ( 1.672 14.342 11.929) 18.729 10.964 ( -0.053 2.267 8.229) 8.536 11.166 ( 2.232 -4.034 3.114) 5.564 12.225 ( -12.853 7.514 -9.742) 17.792 12.606 ( 7.518 7.305 11.295) 15.410 13.135 ( -15.852 -2.271 -11.619) 19.785 13.398 ( -0.444 -1.538 -2.152) 2.682 14.447 ( 17.632 -6.355 2.272) 18.879 16.227 ( 1.531 -1.318 -7.657) 7.919 16.744 ( -4.575 -2.291 9.547) 10.832 17.161 ( 8.871 -12.625 11.000) 18.949 17.568 ( -16.630 13.683 -10.041) 23.761 18.399 ( 9.676 7.485 4.535) 13.046 18.576 ( -3.955 -2.593 -19.977) 20.530 20.482 ( -0.609 -0.804 1.390) 1.717 22.294 ( 1.159 -1.045 3.344) 3.691 ======================= Grid point 4 (4/91) ======================= q-point: ( 0.00 0.00 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.563 ( 38.410 -8.926 0.000) 39.434 0.706 ( 18.805 18.404 0.000) 26.313 1.474 ( 28.376 47.095 -0.000) 54.983 2.832 ( -8.579 -7.204 -0.000) 11.202 2.957 ( -9.378 -4.604 -0.000) 10.447 3.138 ( 5.275 -4.100 0.000) 6.681 3.176 ( -2.106 5.986 -0.000) 6.346 3.216 ( 7.036 2.934 0.000) 7.623 3.478 ( 7.147 5.974 0.000) 9.315 3.704 ( -5.650 -3.696 -0.000) 6.752 4.162 ( -3.148 -10.202 0.000) 10.677 4.284 ( -7.060 3.232 -0.000) 7.765 4.396 ( -5.387 -4.911 -0.000) 7.290 4.787 ( 5.685 4.509 0.000) 7.256 4.850 ( 6.909 4.977 0.000) 8.515 5.351 ( -5.249 -6.174 0.000) 8.104 6.078 ( 1.426 1.002 0.000) 1.742 6.272 ( -1.568 -0.813 -0.000) 1.766 6.989 ( -0.776 0.162 -0.000) 0.793 7.057 ( 3.439 1.725 0.000) 3.847 7.120 ( -8.361 -9.525 0.000) 12.674 7.232 ( 0.497 -0.248 0.000) 0.556 8.411 ( -2.192 -1.977 -0.000) 2.952 8.542 ( 15.505 5.852 0.000) 16.573 8.841 ( 1.124 6.174 -0.000) 6.275 8.892 ( 2.614 2.016 0.000) 3.301 8.906 ( 8.556 3.934 0.000) 9.418 9.691 ( -0.806 -3.710 0.000) 3.796 9.750 ( -7.576 -3.006 -0.000) 8.150 9.796 ( 4.859 4.713 0.000) 6.769 9.902 ( 2.203 5.215 -0.000) 5.661 10.935 ( -11.367 -15.000 0.000) 18.820 11.067 ( -5.435 -4.674 -0.000) 7.168 11.111 ( -6.837 -3.121 -0.000) 7.516 11.512 ( 0.477 2.584 -0.000) 2.627 12.387 ( 9.276 -20.057 0.000) 22.098 12.794 ( -10.182 1.570 -0.000) 10.303 13.113 ( 4.579 4.533 0.000) 6.443 14.050 ( -28.498 11.507 -0.000) 30.734 14.711 ( 6.701 6.519 0.000) 9.349 14.907 ( 24.533 -3.872 0.000) 24.836 16.765 ( -11.573 -9.988 -0.000) 15.287 16.979 ( 0.654 -0.821 0.000) 1.050 17.366 ( -10.748 1.563 -0.000) 10.861 18.706 ( 15.879 0.895 0.000) 15.904 19.503 ( 2.694 2.724 -0.000) 3.831 20.631 ( -6.387 1.452 -0.000) 6.550 22.658 ( -0.784 -0.827 0.000) 1.140 ======================= Grid point 5 (5/91) ======================= q-point: ( 0.00 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.099 ( 30.629 -3.553 0.000) 30.834 1.389 ( 18.393 16.941 0.000) 25.006 2.437 ( -15.235 -7.253 -0.000) 16.874 2.588 ( -14.802 -10.084 -0.000) 17.911 2.766 ( 21.314 34.737 -0.000) 40.755 3.115 ( -0.107 -1.186 0.000) 1.190 3.309 ( 4.200 5.366 -0.000) 6.815 3.388 ( 3.793 4.233 -0.000) 5.684 3.573 ( -1.591 -2.409 0.000) 2.887 3.797 ( 9.269 5.079 0.000) 10.569 3.947 ( 3.953 -8.977 0.000) 9.809 4.148 ( -8.638 -5.850 -0.000) 10.433 4.241 ( -9.719 8.006 -0.000) 12.591 4.938 ( 9.560 -13.768 0.000) 16.762 5.048 ( -14.379 3.028 -0.000) 14.695 5.050 ( 5.726 2.801 0.000) 6.375 6.144 ( 2.637 1.363 0.000) 2.969 6.155 ( -5.179 -3.567 -0.000) 6.288 6.803 ( -6.180 -7.731 0.000) 9.898 6.963 ( -1.352 -0.267 -0.000) 1.378 7.120 ( 1.905 -0.015 0.000) 1.905 7.297 ( 3.661 1.166 0.000) 3.842 8.341 ( -1.830 -1.097 -0.000) 2.134 8.863 ( 6.870 3.151 0.000) 7.558 9.049 ( 4.226 10.239 -0.000) 11.077 9.080 ( 11.930 1.017 0.000) 11.973 9.181 ( 9.371 4.868 0.000) 10.560 9.540 ( -8.127 -0.571 -0.000) 8.147 9.630 ( 0.387 -1.252 0.000) 1.310 10.045 ( 8.978 7.567 0.000) 11.742 10.058 ( 0.289 8.164 -0.000) 8.169 10.341 ( -13.815 -18.926 0.000) 23.432 10.838 ( -12.156 -6.668 -0.000) 13.865 10.847 ( -3.083 -9.452 0.000) 9.942 11.533 ( -4.135 3.917 -0.000) 5.696 12.037 ( 3.158 -25.607 0.000) 25.801 12.674 ( -9.581 5.701 -0.000) 11.149 13.283 ( 3.795 3.734 0.000) 5.324 13.854 ( -12.150 7.611 -0.000) 14.337 15.064 ( 12.372 11.390 0.000) 16.816 15.230 ( 14.168 -1.196 0.000) 14.219 16.248 ( -16.829 -14.549 -0.000) 22.246 16.976 ( 0.658 -0.830 0.000) 1.059 17.196 ( -9.119 1.422 -0.000) 9.230 19.046 ( 15.882 0.757 0.000) 15.900 19.603 ( 2.158 2.231 -0.000) 3.103 20.507 ( -8.880 1.502 -0.000) 9.006 22.625 ( -0.726 -0.859 0.000) 1.124 ======================= Grid point 6 (6/91) ======================= q-point: (-0.50 0.00 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.055 ( -6.272 -0.938 -12.244) 13.788 2.279 ( 4.013 3.189 -12.253) 13.282 2.381 ( -1.274 2.920 7.199) 7.873 2.534 ( -2.494 1.767 -3.312) 4.507 2.648 ( -3.694 2.906 7.535) 8.881 2.819 ( 0.795 2.808 3.720) 4.728 2.907 ( -4.213 5.289 1.150) 6.859 3.185 ( -6.229 3.981 4.727) 8.775 3.570 ( 2.810 -6.686 1.181) 7.348 3.922 ( 8.864 -3.617 1.364) 9.670 4.158 ( 4.187 -2.988 -1.256) 5.295 4.176 ( 2.122 -7.674 -6.471) 10.259 4.443 ( 5.161 -4.471 -3.757) 7.794 4.833 ( -10.281 1.449 5.143) 11.586 5.169 ( 0.795 10.449 -4.790) 11.522 5.522 ( 1.810 -7.379 2.242) 7.922 5.656 ( 4.181 -1.057 -3.204) 5.372 6.376 ( -2.698 6.114 0.732) 6.723 6.691 ( -5.309 0.278 -3.020) 6.114 6.819 ( 0.548 5.647 3.241) 6.534 6.938 ( -4.917 3.159 -0.197) 5.848 7.112 ( 1.992 -4.855 1.100) 5.362 8.000 ( -2.686 2.102 -2.220) 4.069 8.669 ( 0.630 -5.852 -2.228) 6.293 9.089 ( 3.339 -13.929 -1.145) 14.370 9.240 ( 8.665 -11.362 0.074) 14.289 9.476 ( 7.141 -1.852 -0.734) 7.413 9.551 ( 16.185 -2.347 1.419) 16.415 9.618 ( -0.604 -1.639 0.239) 1.763 9.806 ( 14.097 0.272 -5.204) 15.029 10.387 ( -11.479 5.770 -1.424) 12.927 10.517 ( -7.885 4.407 11.312) 14.476 10.802 ( -7.147 4.444 8.969) 12.299 10.909 ( -0.154 -3.820 -5.623) 6.800 11.189 ( 3.494 -1.479 11.240) 11.863 12.204 ( -7.987 12.132 1.666) 14.620 12.625 ( -7.176 -6.854 -8.424) 13.017 13.142 ( 2.438 17.083 0.553) 17.265 13.384 ( 1.440 -0.763 -1.555) 2.253 14.451 ( 6.402 -17.517 -0.877) 18.671 16.227 ( 1.319 -1.555 -6.711) 7.014 16.710 ( 1.935 3.831 5.082) 6.651 17.160 ( 10.098 -7.132 13.927) 18.622 17.655 ( -9.810 18.617 -4.641) 21.549 18.285 ( -7.028 -10.948 -15.394) 20.155 18.635 ( 1.077 2.238 -4.306) 4.971 20.483 ( 0.820 0.631 1.342) 1.694 22.294 ( 1.043 -1.163 3.225) 3.583 ======================= Grid point 9 (7/91) ======================= q-point: ( 0.00 0.00 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 Number of triplets: 86 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.447 ( 0.000 0.000 0.000) 0.000 1.950 ( 0.000 0.000 0.000) 0.000 2.113 ( -0.000 0.000 -0.000) 0.000 2.121 ( -0.000 -0.000 0.000) 0.000 3.060 ( 0.000 0.000 0.000) 0.000 3.444 ( 0.000 0.000 0.000) 0.000 3.452 ( 0.000 0.000 -0.000) 0.000 3.484 ( 0.000 0.000 0.000) 0.000 3.545 ( 0.000 0.000 0.000) 0.000 3.784 ( 0.000 0.000 -0.000) 0.000 3.976 ( -0.000 0.000 -0.000) 0.000 4.127 ( -0.000 0.000 -0.000) 0.000 4.158 ( 0.000 0.000 0.000) 0.000 4.648 ( 0.000 0.000 -0.000) 0.000 5.071 ( 0.000 0.000 0.000) 0.000 5.138 ( 0.000 0.000 -0.000) 0.000 6.047 ( 0.000 0.000 0.000) 0.000 6.191 ( 0.000 0.000 0.000) 0.000 6.659 ( 0.000 0.000 0.000) 0.000 6.946 ( 0.000 0.000 0.000) 0.000 7.139 ( 0.000 0.000 -0.000) 0.000 7.349 ( 0.000 0.000 -0.000) 0.000 8.311 ( 0.000 0.000 -0.000) 0.000 8.975 ( 0.000 0.000 -0.000) 0.000 9.152 ( 0.000 0.000 0.000) 0.000 9.271 ( 0.000 0.000 0.000) 0.000 9.332 ( 0.000 0.000 -0.000) 0.000 9.486 ( 0.000 0.000 -0.000) 0.000 9.664 ( 0.000 0.000 0.000) 0.000 9.913 ( -0.000 0.000 -0.000) 0.000 10.158 ( 0.000 -0.000 0.000) 0.000 10.411 ( -0.000 -0.000 -0.000) 0.000 10.460 ( 0.000 0.000 0.000) 0.000 10.689 ( -0.000 0.000 -0.000) 0.000 11.537 ( 0.000 -0.000 0.000) 0.000 11.770 ( 0.000 0.000 -0.000) 0.000 12.639 ( 0.000 -0.000 0.000) 0.000 13.358 ( 0.000 0.000 0.000) 0.000 13.822 ( 0.000 0.000 -0.000) 0.000 15.359 ( 0.000 0.000 -0.000) 0.000 15.481 ( -0.000 -0.000 -0.000) 0.000 15.754 ( 0.000 0.000 0.000) 0.000 16.974 ( 0.000 0.000 -0.000) 0.000 17.117 ( 0.000 0.000 -0.000) 0.000 19.224 ( -0.000 0.000 -0.000) 0.000 19.647 ( 0.000 0.000 0.000) 0.000 20.420 ( 0.000 0.000 0.000) 0.000 22.609 ( 0.000 0.000 -0.000) 0.000 ======================= Grid point 15 (8/91) ======================= q-point: ( 0.15 -0.02 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.652 ( 0.118 12.624 19.322) 23.081 0.772 ( -9.362 18.999 19.520) 28.804 1.511 ( 4.807 35.020 37.619) 51.621 2.876 ( -1.420 -7.684 -3.117) 8.413 2.988 ( 3.023 -1.882 -5.508) 6.559 3.070 ( -1.555 0.914 -2.589) 3.155 3.151 ( 3.268 -1.295 1.662) 3.889 3.222 ( -3.164 4.568 3.457) 6.544 3.679 ( -1.829 -6.091 7.073) 9.512 3.770 ( 2.239 -7.943 6.358) 10.418 4.064 ( -0.360 -9.018 -14.804) 17.338 4.269 ( 1.143 -1.511 -5.688) 5.995 4.380 ( 1.687 2.219 -0.549) 2.841 4.728 ( -1.779 -1.432 6.709) 7.087 4.940 ( -2.317 1.629 9.467) 9.882 5.196 ( 1.255 16.164 -12.956) 20.753 5.904 ( -0.128 1.825 -10.893) 11.045 6.380 ( 0.292 -2.496 4.275) 4.959 6.957 ( 0.364 -0.783 -2.699) 2.834 7.034 ( -0.600 3.057 -2.404) 3.935 7.205 ( -0.752 -8.725 -0.110) 8.758 7.246 ( -0.168 -1.555 0.938) 1.824 8.343 ( -0.930 4.399 -0.444) 4.518 8.486 ( -1.506 9.069 0.794) 9.228 8.649 ( 0.488 1.176 -14.239) 14.296 8.876 ( 1.680 4.101 6.400) 7.785 8.934 ( -2.090 9.430 4.586) 10.692 9.619 ( -1.353 6.641 4.331) 8.043 9.633 ( 1.622 -3.013 -7.704) 8.429 9.819 ( 4.559 -1.429 -2.890) 5.584 9.875 ( -3.816 4.387 -0.141) 5.816 11.047 ( 2.715 -13.503 -1.260) 13.830 11.092 ( -2.652 -6.862 -1.254) 7.463 11.401 ( -0.993 -3.880 -1.320) 4.217 11.700 ( 3.607 -11.420 20.944) 24.126 12.108 ( -5.500 -21.780 -6.169) 23.295 13.056 ( -9.495 11.396 -4.995) 15.652 13.107 ( -0.032 7.604 1.098) 7.682 13.697 ( 24.522 17.348 -29.808) 42.318 14.459 ( -11.084 6.214 -8.477) 15.276 14.907 ( -1.321 5.537 17.258) 18.173 16.961 ( -1.985 -5.301 3.680) 6.752 17.090 ( 0.438 -2.467 11.646) 11.912 17.508 ( 10.350 -1.041 1.569) 10.520 18.250 ( -17.820 44.557 -42.883) 64.357 18.649 ( 9.335 21.335 -11.640) 26.035 20.462 ( 0.914 -0.714 -2.933) 3.154 22.637 ( -0.045 -1.664 -2.361) 2.889 ======================= Grid point 16 (9/91) ======================= q-point: (-0.35 -0.02 0.02) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.678 ( 0.384 -3.028 -20.389) 20.616 1.919 ( 1.289 -11.251 -19.982) 22.968 2.537 ( 2.581 5.995 5.714) 8.674 2.719 ( 0.346 2.569 10.716) 11.025 2.807 ( -5.265 2.187 1.750) 5.963 2.938 ( 1.464 2.031 8.698) 9.051 3.074 ( 2.088 8.266 4.673) 9.723 3.363 ( -8.150 2.098 1.552) 8.557 3.418 ( 3.989 0.077 -1.876) 4.409 3.661 ( 1.032 -16.938 -14.208) 22.132 4.046 ( -0.355 -2.314 2.016) 3.090 4.170 ( -3.082 4.743 -5.438) 7.846 4.328 ( 2.682 -6.580 4.390) 8.352 4.913 ( 0.516 5.741 0.121) 5.765 5.196 ( 3.970 0.533 -7.882) 8.841 5.396 ( -3.405 -3.869 -3.086) 6.007 5.617 ( 0.636 -6.190 2.560) 6.729 6.424 ( -1.166 1.751 -1.808) 2.774 6.713 ( 0.126 4.568 4.437) 6.370 6.899 ( -1.730 0.408 0.808) 1.953 7.032 ( 4.908 4.039 3.299) 7.161 7.155 ( -1.081 0.138 6.112) 6.208 8.070 ( -0.023 1.838 6.818) 7.062 8.590 ( 4.498 -3.548 -2.392) 6.208 8.854 ( -3.234 -9.303 -6.151) 11.612 9.087 ( -6.472 -2.789 4.519) 8.372 9.357 ( 2.560 -10.648 -6.800) 12.891 9.587 ( -0.251 -13.504 -1.295) 13.569 9.646 ( 0.173 -1.117 1.603) 1.961 9.729 ( 2.503 -3.014 -3.030) 4.953 10.306 ( 2.997 -0.336 -10.825) 11.237 10.702 ( -3.433 14.419 0.374) 14.827 10.878 ( -0.119 6.148 7.575) 9.756 11.075 ( 6.110 9.199 7.664) 13.442 11.354 ( -3.784 8.512 9.894) 13.589 12.184 ( -9.109 6.396 -12.866) 17.012 12.646 ( 14.553 2.363 12.669) 19.439 13.287 ( -4.661 -5.012 0.181) 6.846 13.409 ( -7.472 -10.159 2.479) 12.852 14.273 ( 4.730 -0.871 3.015) 5.676 15.900 ( -0.126 -5.540 -19.841) 20.600 16.931 ( 6.566 0.646 5.343) 8.490 17.297 ( -6.353 -2.739 8.956) 11.317 17.643 ( -12.618 3.268 -13.722) 18.926 18.041 ( 19.264 -0.815 -0.744) 19.295 18.599 ( -6.902 -10.494 5.017) 13.525 20.466 ( -0.162 0.522 -2.817) 2.870 22.392 ( 0.110 2.393 5.940) 6.405 ======================= Grid point 17 (10/91) ======================= q-point: (-0.35 -0.02 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.660 ( -0.456 0.408 -25.116) 25.124 1.789 ( 4.895 -6.139 -21.534) 22.921 2.638 ( -8.409 2.300 2.615) 9.101 2.665 ( -0.478 5.096 10.125) 11.345 2.885 ( -0.564 4.045 6.753) 7.892 2.956 ( -1.663 1.196 7.579) 7.851 3.156 ( -9.894 5.774 7.720) 13.814 3.277 ( 8.756 -3.084 -19.083) 21.221 3.482 ( -2.794 0.626 1.908) 3.441 3.519 ( 7.455 -6.880 -4.249) 10.999 4.079 ( 5.492 -0.147 3.164) 6.340 4.140 ( -0.551 -4.204 -0.098) 4.241 4.304 ( 4.838 -4.808 1.118) 6.912 5.028 ( -5.080 3.943 -4.074) 7.612 5.104 ( -3.992 2.369 -2.360) 5.208 5.399 ( 4.741 -2.748 -8.837) 10.398 5.536 ( 5.135 -5.693 4.548) 8.914 6.432 ( -4.191 5.054 -1.750) 6.795 6.748 ( -3.640 2.747 2.505) 5.203 6.885 ( 2.180 -0.426 3.678) 4.296 7.102 ( -5.523 1.397 3.909) 6.909 7.156 ( 1.207 0.162 4.529) 4.689 8.095 ( -3.773 3.622 5.115) 7.315 8.625 ( 0.821 -10.397 -3.011) 10.855 8.724 ( 18.228 -8.011 -6.520) 20.952 9.077 ( 5.418 -1.425 0.998) 5.691 9.224 ( 10.388 -10.771 -2.331) 15.145 9.375 ( 4.552 -7.753 0.197) 8.992 9.666 ( -1.074 2.548 0.362) 2.788 9.718 ( -0.300 -1.806 3.511) 3.959 10.293 ( -1.351 -0.277 -15.381) 15.443 10.795 ( -7.864 10.149 4.319) 13.546 10.979 ( -0.853 0.530 5.891) 5.977 11.146 ( -3.831 0.754 8.030) 8.929 11.495 ( -7.975 8.503 15.069) 19.052 12.271 ( -0.347 13.526 -4.426) 14.236 12.714 ( -15.523 -11.347 -2.809) 19.432 13.084 ( 12.909 6.899 7.716) 16.546 13.290 ( 1.990 -2.942 -3.578) 5.042 14.351 ( 7.019 -9.681 3.596) 12.487 15.846 ( 3.001 -2.956 -21.028) 21.445 16.871 ( -3.939 -1.231 6.003) 7.285 17.225 ( 16.638 -11.504 13.486) 24.311 17.696 ( -10.341 20.742 -9.693) 25.122 18.071 ( -12.010 -5.089 -19.596) 23.541 18.514 ( 13.785 -7.038 5.308) 16.363 20.465 ( 0.078 0.058 -1.241) 1.245 22.417 ( -0.906 0.832 7.046) 7.153 ======================= Grid point 18 (11/91) ======================= q-point: ( 0.15 -0.02 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.804 ( 1.468 14.022 14.900) 20.512 1.250 ( 11.728 19.485 12.202) 25.809 2.514 ( 17.195 34.640 14.352) 41.250 2.619 ( -10.535 -5.562 -5.127) 12.970 2.942 ( -8.422 -5.119 3.739) 10.541 3.039 ( 2.001 -2.494 -2.487) 4.051 3.173 ( 2.114 4.487 -5.249) 7.222 3.340 ( 5.704 2.384 3.725) 7.218 3.537 ( -6.540 -2.263 -7.741) 10.383 3.723 ( 7.192 -1.245 7.146) 10.215 3.884 ( -2.750 -4.328 -6.034) 7.918 4.224 ( -0.969 -4.761 0.779) 4.920 4.467 ( 0.124 2.816 3.878) 4.794 4.723 ( 6.248 -6.976 0.748) 9.395 4.955 ( 2.172 -0.299 -0.165) 2.198 5.302 ( -7.549 6.510 0.202) 9.970 5.964 ( 1.661 2.203 -9.919) 10.296 6.307 ( -7.467 0.718 1.035) 7.572 6.881 ( -2.538 -11.818 -0.274) 12.090 6.933 ( -1.465 -1.391 -4.656) 5.075 7.121 ( 1.162 -0.641 1.612) 2.088 7.239 ( 2.323 0.210 0.915) 2.505 8.473 ( 0.728 1.797 4.891) 5.262 8.609 ( 5.536 5.065 -3.134) 8.131 8.751 ( 8.372 1.493 -6.112) 10.473 9.044 ( 5.008 6.709 4.847) 9.674 9.158 ( 6.749 7.881 7.512) 12.809 9.567 ( 0.761 -2.392 -3.976) 4.702 9.658 ( -3.766 -0.486 -1.001) 3.927 9.891 ( 4.140 3.977 -3.742) 6.853 9.990 ( 5.451 4.202 3.061) 7.533 10.572 ( -11.180 -20.205 0.339) 23.095 10.973 ( -4.590 -6.486 -0.347) 7.954 11.076 ( -11.036 -13.214 1.639) 17.294 11.618 ( -6.577 6.538 0.158) 9.275 11.890 ( 16.007 -22.941 5.266) 28.465 12.870 ( -18.732 5.953 -9.083) 21.652 13.236 ( 2.657 5.349 1.810) 6.241 14.017 ( -18.357 7.309 -15.640) 25.200 14.664 ( 31.351 -3.609 -6.373) 32.195 15.087 ( 5.462 9.474 16.199) 19.544 16.627 ( -12.704 -12.508 6.583) 19.005 17.054 ( 5.007 -6.702 12.390) 14.950 17.476 ( -17.695 7.533 -1.213) 19.270 18.557 ( 7.539 8.777 -19.749) 22.889 19.391 ( 12.193 16.959 -15.205) 25.836 20.449 ( -0.576 -2.802 -7.978) 8.475 22.590 ( -0.440 -2.300 -3.555) 4.257 ======================= Grid point 19 (12/91) ======================= q-point: ( 0.15 -0.02 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.235 ( 10.502 16.020 3.444) 19.462 1.832 ( 12.053 17.050 8.201) 22.433 2.251 ( -14.911 -4.231 -3.350) 15.857 2.500 ( -15.934 -9.212 4.514) 18.951 2.993 ( -1.124 -0.678 -5.842) 5.988 3.260 ( 8.882 4.957 -8.275) 13.112 3.372 ( 0.742 -0.600 -6.479) 6.549 3.451 ( 6.109 8.487 6.127) 12.120 3.522 ( 2.364 0.961 1.720) 3.078 3.675 ( -1.941 -4.484 -9.807) 10.957 3.999 ( 9.937 2.297 10.407) 14.571 4.153 ( 0.283 0.843 9.352) 9.395 4.465 ( -7.003 2.509 6.052) 9.589 4.593 ( 3.195 -11.885 -0.415) 12.314 4.959 ( -2.168 1.476 -6.815) 7.302 5.317 ( -4.200 6.339 6.429) 9.958 6.032 ( 2.417 0.526 -9.872) 10.177 6.150 ( -10.449 3.227 -0.845) 10.968 6.679 ( 0.868 -6.707 2.745) 7.298 6.881 ( -1.040 -0.941 -6.387) 6.539 7.143 ( 2.088 -0.544 1.110) 2.426 7.312 ( 3.126 0.560 -0.185) 3.181 8.489 ( -1.747 1.446 14.067) 14.248 8.732 ( 1.444 2.179 -15.201) 15.424 9.001 ( 12.755 -0.621 -2.561) 13.024 9.228 ( 0.783 1.710 0.507) 1.947 9.402 ( 8.279 3.633 9.680) 13.246 9.563 ( 2.689 0.794 -1.399) 3.133 9.670 ( -1.296 3.464 7.095) 8.002 9.966 ( -3.647 -12.992 -2.428) 13.711 10.121 ( 3.502 0.576 -0.813) 3.641 10.237 ( 10.853 5.504 2.658) 12.456 10.582 ( -3.514 -17.353 -1.858) 17.802 10.710 ( -7.378 -10.459 2.695) 13.080 11.576 ( -4.145 -2.645 -3.399) 5.978 11.836 ( 0.696 4.275 6.763) 8.031 12.651 ( -10.497 0.733 -7.962) 13.195 13.354 ( 1.311 2.340 0.941) 2.843 13.812 ( -11.947 3.009 -11.596) 16.919 15.092 ( 21.526 -6.128 -3.818) 22.705 15.449 ( 10.034 12.765 12.451) 20.461 16.095 ( -15.444 -12.962 9.527) 22.300 17.032 ( 5.117 -5.869 10.123) 12.771 17.280 ( -18.567 10.135 -3.417) 21.428 18.846 ( 4.880 7.618 -21.383) 23.218 19.772 ( 7.452 6.215 6.635) 11.755 20.304 ( -4.343 -7.136 -11.938) 14.570 22.551 ( 0.676 -1.765 -4.425) 4.812 ======================= Grid point 21 (13/91) ======================= q-point: (-0.35 -0.02 0.52) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.794 ( 9.747 -1.232 -12.772) 16.113 2.149 ( 10.316 -1.284 -11.726) 15.671 2.490 ( -2.653 -4.016 6.854) 8.376 2.587 ( -0.609 -2.588 1.112) 2.881 2.683 ( -3.698 -1.785 8.936) 9.835 2.859 ( -2.816 -6.105 1.868) 6.978 3.036 ( -1.266 -4.281 7.654) 8.861 3.135 ( -2.827 1.872 9.103) 9.714 3.523 ( -0.934 7.093 -5.539) 9.048 3.957 ( -7.709 -1.381 -5.988) 9.859 4.077 ( 16.596 6.711 -10.874) 20.945 4.225 ( 1.749 7.835 1.348) 8.140 4.453 ( -0.538 4.977 0.250) 5.012 4.798 ( -4.553 -3.623 3.233) 6.656 5.183 ( 1.655 -6.468 -3.537) 7.555 5.455 ( 1.999 3.138 -4.370) 5.739 5.720 ( 1.623 1.249 2.671) 3.366 6.314 ( 0.830 -8.081 -1.858) 8.333 6.644 ( 0.469 -1.199 2.659) 2.954 6.813 ( -2.440 -2.926 -1.033) 3.947 7.038 ( -2.349 -1.888 8.307) 8.837 7.166 ( -0.011 4.136 3.435) 5.376 8.083 ( 2.625 0.002 10.057) 10.394 8.763 ( -1.668 7.150 3.183) 8.002 9.025 ( 5.492 6.602 -8.121) 11.820 9.183 ( 2.395 13.527 -0.901) 13.767 9.466 ( 0.224 -0.012 -2.367) 2.377 9.591 ( -1.375 1.955 -3.635) 4.351 9.859 ( 4.082 4.560 -1.486) 6.298 9.930 ( 7.216 -1.628 -9.208) 11.812 10.207 ( -16.598 -2.309 -1.998) 16.877 10.458 ( 0.424 0.871 -4.720) 4.818 10.613 ( -10.209 -5.661 6.679) 13.448 11.084 ( -6.375 -10.353 -1.910) 12.308 11.118 ( -3.588 9.662 3.332) 10.832 12.040 ( 4.618 -4.631 -0.774) 6.586 12.751 ( -4.786 -0.912 5.851) 7.614 13.144 ( 9.424 -17.840 6.756) 21.277 13.388 ( 1.450 0.334 -1.243) 1.939 14.598 ( -1.006 20.963 5.669) 21.739 16.034 ( 6.312 2.350 -15.972) 17.334 16.832 ( -13.751 -9.019 -1.003) 16.476 17.086 ( -4.163 1.393 -7.514) 8.702 17.542 ( 5.706 -7.416 -0.617) 9.377 18.340 ( 11.137 -5.522 8.111) 14.843 18.815 ( 8.371 12.507 17.591) 23.150 20.422 ( -1.986 -1.759 -6.074) 6.628 22.346 ( -3.211 0.997 3.590) 4.919 ======================= Grid point 22 (14/91) ======================= q-point: ( 0.15 -0.02 -0.48) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.494 ( -18.711 8.407 -4.075) 20.914 1.861 ( -13.625 -6.692 5.919) 16.293 2.206 ( 1.956 6.696 2.018) 7.262 2.418 ( 12.904 13.416 6.292) 19.649 2.971 ( -0.271 -1.324 -6.821) 6.954 3.193 ( -5.999 -14.761 -1.318) 15.988 3.380 ( -6.296 -3.879 -3.277) 8.089 3.455 ( -2.552 -2.689 -2.647) 4.555 3.480 ( 0.629 -4.474 1.214) 4.678 3.681 ( 4.654 1.940 -7.043) 8.662 4.001 ( 0.533 -4.481 3.289) 5.584 4.204 ( 4.881 -3.488 10.749) 12.310 4.283 ( -6.339 -2.404 6.932) 9.697 4.811 ( 11.707 8.395 3.838) 14.908 4.939 ( -4.603 4.236 -8.096) 10.231 5.293 ( -7.244 1.914 5.820) 9.487 6.047 ( -0.648 -1.174 -9.915) 10.006 6.132 ( -3.072 8.665 -0.800) 9.228 6.687 ( 6.928 -0.218 2.229) 7.281 6.875 ( 0.947 0.517 -5.947) 6.044 7.166 ( 0.639 0.261 1.576) 1.720 7.333 ( -0.596 -1.299 -0.976) 1.731 8.464 ( -1.435 -0.544 12.814) 12.905 8.741 ( -2.118 -0.466 -14.881) 15.038 9.073 ( -1.808 -8.362 -4.831) 9.825 9.242 ( 3.769 2.874 3.707) 6.018 9.436 ( -3.731 -3.519 6.205) 8.050 9.530 ( -4.768 -9.139 7.755) 12.899 9.602 ( -1.456 -3.690 -3.183) 5.086 10.004 ( 10.474 -2.853 1.240) 10.926 10.059 ( 3.970 2.558 -0.041) 4.723 10.288 ( -7.535 -7.380 3.387) 11.077 10.603 ( 13.598 7.347 2.045) 15.591 10.746 ( 13.834 7.301 -1.107) 15.682 11.439 ( 0.525 -5.305 -2.555) 5.912 12.070 ( -0.497 16.610 2.710) 16.837 12.547 ( -1.662 3.318 -5.858) 6.935 13.354 ( -2.338 -1.304 0.901) 2.824 13.662 ( -4.552 -3.283 -10.686) 12.070 15.205 ( 6.933 -10.951 -5.352) 14.023 15.462 ( -13.409 -9.474 11.625) 20.117 16.084 ( 14.216 14.827 11.544) 23.563 17.026 ( 4.962 -4.416 7.057) 9.692 17.204 ( -10.627 10.942 -0.756) 15.271 18.975 ( -7.299 7.881 -22.931) 25.322 19.800 ( -8.723 -7.844 6.408) 13.368 20.188 ( 9.595 -4.000 -10.378) 14.689 22.554 ( 1.759 -0.368 -4.309) 4.669 ======================= Grid point 23 (15/91) ======================= q-point: ( 0.15 -0.02 -0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.069 ( -25.218 -1.986 1.909) 25.368 1.385 ( -23.135 -5.852 9.513) 25.690 2.319 ( -25.111 -20.144 20.616) 38.228 2.623 ( 5.050 10.104 -0.999) 11.340 2.865 ( 9.731 8.517 6.170) 14.328 2.997 ( 2.735 -4.281 -8.534) 9.931 3.200 ( -4.993 -1.926 -3.194) 6.233 3.375 ( -2.678 -3.284 0.408) 4.257 3.506 ( 4.810 5.474 -4.365) 8.494 3.786 ( -2.426 -7.415 7.414) 10.763 3.898 ( 2.176 2.480 -11.122) 11.601 4.191 ( 4.567 1.970 -0.486) 4.997 4.340 ( 5.519 -1.315 7.380) 9.309 4.819 ( -0.522 -5.902 2.163) 6.307 5.059 ( 0.708 -5.581 4.074) 6.946 5.239 ( -6.781 11.785 -4.466) 14.311 5.979 ( -3.187 -1.586 -9.815) 10.441 6.281 ( 0.951 6.965 0.929) 7.091 6.895 ( 10.079 2.857 -2.040) 10.673 6.924 ( 2.706 1.002 -3.076) 4.218 7.177 ( -1.306 0.967 3.147) 3.542 7.255 ( -1.599 -3.097 -0.458) 3.516 8.429 ( -0.314 -1.516 4.674) 4.923 8.668 ( -4.501 -0.409 -10.436) 11.373 8.809 ( -5.409 -10.965 -3.700) 12.774 9.043 ( -9.365 -7.791 7.358) 14.232 9.227 ( -10.961 -6.086 8.144) 14.950 9.516 ( 8.381 -0.022 -4.753) 9.635 9.613 ( 3.403 4.278 -2.698) 6.095 9.830 ( -4.263 -5.435 -1.868) 7.155 10.052 ( -5.626 -4.323 5.505) 8.980 10.600 ( 17.156 11.576 -2.277) 20.821 10.943 ( 10.612 2.929 0.832) 11.040 11.163 ( 4.927 16.765 6.779) 18.743 11.439 ( 9.015 -4.318 -2.234) 10.242 12.160 ( 9.526 -15.262 -5.031) 18.682 12.917 ( -7.565 39.615 -1.357) 40.354 13.235 ( -5.512 -2.662 1.675) 6.346 13.520 ( 7.430 -12.900 -11.518) 18.822 14.916 ( -7.448 -15.028 -6.931) 18.148 15.132 ( -7.976 -6.217 10.610) 14.658 16.646 ( 13.806 13.222 11.415) 22.265 17.056 ( 7.436 -5.497 8.789) 12.757 17.281 ( -4.721 12.940 -1.382) 13.843 18.874 ( -17.777 7.446 -17.551) 26.068 19.277 ( -16.017 -22.525 -21.399) 34.955 20.358 ( 8.406 0.481 -3.153) 8.991 22.594 ( 2.060 0.464 -3.438) 4.035 ======================= Grid point 24 (16/91) ======================= q-point: (-0.35 -0.02 -0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.912 ( 9.986 -11.698 -11.273) 19.070 2.208 ( 3.679 -0.522 -5.776) 6.868 2.383 ( 1.397 -4.458 2.804) 5.449 2.495 ( -4.249 -5.368 -1.102) 6.935 2.660 ( 6.114 -0.070 3.542) 7.067 2.799 ( 3.006 0.603 7.472) 8.077 2.946 ( -0.122 0.304 15.411) 15.415 3.184 ( -1.533 1.363 4.860) 5.275 3.613 ( -4.694 4.785 -4.939) 8.326 3.870 ( -2.789 5.948 -9.040) 11.175 4.318 ( -3.614 3.732 3.667) 6.359 4.373 ( -5.622 5.761 -5.578) 9.793 4.515 ( -1.326 -1.615 3.547) 4.116 4.723 ( 9.644 0.783 -3.811) 10.399 5.008 ( -2.066 -10.358 -1.894) 10.730 5.541 ( 1.009 1.598 -4.249) 4.650 5.730 ( -1.653 0.910 2.485) 3.120 6.238 ( 6.820 -6.183 -0.707) 9.233 6.646 ( 2.264 -2.818 0.439) 3.641 6.767 ( 1.470 -0.111 -1.155) 1.873 6.964 ( -0.509 -1.603 8.241) 8.411 7.220 ( -2.017 2.558 2.999) 4.428 8.101 ( 1.018 -2.102 11.413) 11.649 8.809 ( -5.912 3.483 1.527) 7.030 9.279 ( 4.778 6.715 -9.189) 12.343 9.382 ( -1.291 5.190 -4.126) 6.755 9.538 ( -10.239 4.376 -3.870) 11.788 9.565 ( -14.323 5.291 4.870) 16.027 9.664 ( -1.379 2.415 -3.863) 4.760 10.010 ( -14.531 8.325 5.476) 17.619 10.063 ( 8.143 2.041 -9.659) 12.797 10.469 ( -4.053 -9.925 -4.382) 11.582 10.473 ( 6.433 1.070 -6.887) 9.484 10.830 ( 0.588 -4.186 -6.695) 7.917 11.244 ( -2.202 8.437 4.632) 9.873 12.141 ( 12.941 -3.922 7.844) 15.633 12.484 ( -1.318 -13.351 -7.029) 15.146 13.194 ( 11.736 -2.439 16.985) 20.789 13.417 ( 0.569 0.137 0.248) 0.636 14.784 ( -16.209 12.433 2.412) 20.570 16.201 ( 1.334 1.296 -10.921) 11.079 16.465 ( -1.090 -3.239 -11.519) 12.015 17.129 ( 3.836 2.553 1.544) 4.860 17.494 ( 0.484 -2.836 -2.209) 3.627 18.321 ( 7.603 -13.654 3.798) 16.083 19.116 ( -0.071 5.059 27.863) 28.318 20.370 ( 0.128 -0.201 -8.265) 8.269 22.321 ( -2.746 2.538 2.127) 4.302 ======================= Grid point 26 (17/91) ======================= q-point: (-0.35 -0.02 -0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.771 ( 2.421 -10.167 -15.953) 19.072 2.143 ( -1.041 -12.549 -12.879) 18.012 2.371 ( 5.077 3.244 -0.321) 6.034 2.573 ( 4.979 5.544 10.672) 13.016 2.821 ( 7.013 2.060 3.382) 8.054 2.882 ( 1.468 4.720 13.854) 14.709 2.930 ( -2.750 -2.553 2.296) 4.399 3.229 ( 3.680 4.763 9.500) 11.246 3.534 ( -7.808 1.217 -5.036) 9.371 3.951 ( -2.243 -1.561 -13.327) 13.604 4.145 ( -4.135 -8.553 0.985) 9.551 4.250 ( -6.663 -0.451 0.728) 6.718 4.413 ( -7.533 -0.123 -0.102) 7.535 4.834 ( 1.552 -0.306 0.227) 1.598 5.025 ( 9.562 2.366 -6.692) 11.908 5.525 ( -2.069 -2.217 -3.251) 4.446 5.700 ( -1.246 -1.676 2.340) 3.136 6.340 ( 7.971 0.145 -1.184) 8.059 6.652 ( 1.985 -0.590 3.948) 4.458 6.819 ( 1.760 2.907 -2.670) 4.322 6.962 ( 1.449 -0.368 6.935) 7.094 7.191 ( -3.202 0.456 3.600) 4.839 8.068 ( 0.336 -1.862 9.655) 9.838 8.668 ( -6.177 -2.372 -0.198) 6.620 9.145 ( -14.480 -3.816 -0.459) 14.981 9.308 ( -10.971 0.587 -1.565) 11.098 9.428 ( -0.980 0.167 -7.783) 7.847 9.609 ( 0.403 4.159 0.675) 4.232 9.696 ( 0.361 -0.294 -4.377) 4.401 10.005 ( -3.626 -19.542 -10.540) 22.498 10.143 ( 4.760 7.811 -0.631) 9.169 10.362 ( 3.491 15.969 -1.116) 16.384 10.741 ( 8.528 7.492 -1.936) 11.515 10.839 ( -2.396 3.782 1.147) 4.622 11.324 ( -3.081 5.073 6.213) 8.593 12.246 ( -2.381 0.147 -11.090) 11.344 12.394 ( 12.685 -4.145 12.001) 17.947 13.355 ( 2.504 -1.462 4.045) 4.977 13.461 ( 12.316 -4.080 10.233) 16.524 14.493 ( -23.010 1.014 0.466) 23.038 16.049 ( -2.913 -7.013 -16.242) 17.929 16.701 ( 8.470 7.729 -4.191) 12.209 17.300 ( -8.275 15.361 -2.530) 17.630 17.549 ( 17.088 -4.094 1.275) 17.618 18.104 ( 0.661 -17.874 2.876) 18.116 18.961 ( -9.802 -8.196 19.894) 23.644 20.425 ( 1.763 2.229 -5.599) 6.279 22.342 ( -0.936 3.213 3.375) 4.753 ======================= Grid point 28 (18/91) ======================= q-point: ( 0.29 -0.04 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 Number of triplets: 292 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.268 ( -1.713 11.339 17.704) 21.094 1.512 ( -4.611 17.091 18.327) 25.480 2.664 ( -6.074 -4.546 -5.728) 9.506 2.729 ( 3.225 14.751 20.710) 25.630 2.828 ( 9.233 -3.090 -3.763) 10.438 2.999 ( -3.967 0.084 -3.091) 5.030 3.156 ( 3.224 3.569 -0.673) 4.856 3.261 ( 3.263 -7.041 -3.021) 8.327 3.515 ( -3.813 2.933 -1.398) 5.009 3.637 ( -1.336 -4.037 -12.229) 12.947 3.956 ( 0.240 -1.647 11.459) 11.579 4.133 ( 5.134 -1.458 -3.317) 6.284 4.420 ( -1.375 2.396 -1.924) 3.367 4.855 ( -2.304 -1.530 5.640) 6.281 5.032 ( -4.760 -3.124 5.755) 8.096 5.328 ( 3.820 8.396 1.603) 9.363 5.751 ( -0.853 4.554 -9.151) 10.257 6.393 ( 1.403 -0.895 0.979) 1.930 6.832 ( 0.629 -3.818 -6.067) 7.196 6.906 ( -0.336 -6.669 -0.205) 6.681 7.116 ( -3.772 -0.476 -3.466) 5.145 7.237 ( 0.054 -0.375 -1.340) 1.392 8.287 ( -0.492 1.577 -12.594) 12.702 8.557 ( -2.212 5.284 0.444) 5.746 8.712 ( 3.305 8.487 6.455) 11.164 9.146 ( 2.212 5.832 5.272) 8.167 9.223 ( -4.175 6.424 2.398) 8.029 9.487 ( 1.003 4.669 3.494) 5.917 9.684 ( 4.664 -3.604 -1.235) 6.023 9.729 ( -3.359 1.266 -1.905) 4.064 10.107 ( -2.470 8.325 7.307) 11.349 10.708 ( 0.330 -19.693 0.060) 19.696 10.959 ( 0.957 -5.083 -1.471) 5.378 11.213 ( -7.310 -11.381 -5.309) 14.531 11.551 ( 6.552 -17.143 -7.407) 19.790 11.924 ( 1.412 -1.223 11.221) 11.375 12.941 ( -15.803 -0.419 -14.722) 21.602 13.260 ( 0.336 5.129 2.160) 5.575 13.555 ( 27.522 11.265 -10.045) 31.389 14.373 ( -12.430 2.063 -6.847) 14.340 15.455 ( -0.201 7.856 21.531) 22.920 16.943 ( -8.576 -6.241 4.411) 11.487 17.247 ( 9.337 -17.174 13.866) 23.966 17.498 ( 9.441 8.018 -1.697) 12.502 18.255 ( -20.806 25.201 -21.587) 39.166 18.771 ( 10.795 15.923 -10.713) 22.019 20.402 ( 0.940 -3.733 2.455) 4.565 22.509 ( -0.194 -3.467 -5.004) 6.091 ======================= Grid point 29 (19/91) ======================= q-point: (-0.21 -0.04 0.04) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.136 ( -1.679 -2.848 -25.049) 25.266 1.237 ( 3.391 -11.402 -23.899) 26.695 2.361 ( -1.037 -18.835 -40.868) 45.011 2.791 ( 3.706 7.554 5.177) 9.880 2.866 ( -5.001 0.688 5.953) 7.805 3.013 ( 1.911 2.717 2.740) 4.306 3.141 ( -1.427 0.770 3.462) 3.823 3.304 ( -0.313 -5.920 -4.303) 7.325 3.556 ( 1.383 9.436 11.547) 14.976 3.723 ( -0.156 3.989 13.612) 14.185 4.035 ( 3.579 7.117 -7.820) 11.163 4.158 ( -8.861 0.358 2.715) 9.275 4.315 ( 4.063 -8.072 6.326) 11.031 4.910 ( 1.395 3.512 -9.160) 9.909 5.047 ( 2.314 -3.662 -4.441) 6.204 5.182 ( -2.794 -5.531 -7.478) 9.712 5.661 ( 0.223 -4.289 11.494) 12.270 6.444 ( -0.343 3.932 -2.215) 4.525 6.876 ( 0.017 1.436 4.749) 4.961 6.947 ( 0.049 -3.141 4.868) 5.794 7.185 ( 1.040 5.950 2.086) 6.390 7.241 ( -0.025 0.317 1.897) 1.923 8.290 ( 1.563 1.923 7.657) 8.048 8.447 ( -2.945 -6.866 0.108) 7.472 8.521 ( 1.111 -10.998 -2.671) 11.372 9.015 ( -1.435 -6.876 -5.376) 8.845 9.038 ( 1.945 -9.812 -4.477) 10.959 9.433 ( -0.151 -1.324 9.072) 9.170 9.745 ( -0.156 2.747 0.041) 2.752 9.752 ( -0.441 2.156 2.716) 3.496 9.962 ( 0.699 -6.048 -12.949) 14.309 11.004 ( -0.684 11.217 3.170) 11.677 11.054 ( 0.453 5.051 2.927) 5.855 11.311 ( 0.643 1.153 6.137) 6.277 11.913 ( 7.106 19.058 11.934) 23.582 12.078 ( -10.846 14.752 -14.487) 23.348 12.881 ( 17.087 -6.241 9.914) 20.717 13.161 ( -5.393 -6.176 -1.545) 8.344 13.244 ( -12.038 -22.517 11.222) 27.890 14.332 ( 3.300 -1.494 4.475) 5.757 15.340 ( 0.109 -4.235 -22.959) 23.347 17.001 ( 4.375 0.634 0.951) 4.522 17.233 ( -4.983 -17.808 3.631) 18.845 17.597 ( -9.064 15.281 -10.448) 20.612 17.862 ( 12.388 -12.128 -3.482) 17.682 18.494 ( -2.837 -12.986 6.968) 15.008 20.449 ( -0.197 1.304 -0.521) 1.418 22.561 ( 0.038 1.976 5.068) 5.440 ======================= Grid point 31 (20/91) ======================= q-point: ( 0.29 -0.04 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.433 ( -5.063 16.825 15.249) 23.265 1.875 ( 5.276 18.426 12.274) 22.759 2.433 ( -12.005 -1.887 -5.006) 13.143 2.715 ( -5.818 -10.028 -3.322) 12.060 2.911 ( -3.572 -1.692 -5.120) 6.468 2.984 ( 6.364 2.399 -3.676) 7.731 3.173 ( 0.782 -5.385 -11.244) 12.492 3.402 ( 5.125 4.179 0.382) 6.624 3.486 ( 0.646 -6.036 -8.119) 10.137 3.652 ( 0.687 9.242 13.339) 16.243 4.043 ( 9.178 0.637 9.798) 13.440 4.250 ( 4.227 5.790 1.753) 7.380 4.456 ( 5.338 -1.911 -1.954) 5.997 4.761 ( -6.935 -1.549 6.464) 9.606 4.911 ( -1.962 -1.951 1.714) 3.255 5.478 ( -2.411 6.563 1.488) 7.149 5.805 ( 0.556 1.441 -7.681) 7.835 6.333 ( -8.551 1.461 -0.775) 8.709 6.738 ( -0.499 -3.403 0.986) 3.578 6.784 ( -3.214 -1.904 -4.055) 5.514 7.081 ( 0.783 -0.903 -3.564) 3.759 7.247 ( 2.355 -0.167 -1.283) 2.687 8.344 ( 0.806 3.539 -15.525) 15.944 8.691 ( 6.843 3.297 -2.173) 7.901 8.960 ( 4.637 4.940 17.908) 19.147 9.221 ( 1.534 1.405 3.649) 4.200 9.342 ( 11.691 -1.228 1.903) 11.909 9.504 ( -0.578 -3.080 4.131) 5.185 9.754 ( 8.376 -4.044 -4.916) 10.520 9.843 ( 0.469 13.628 5.417) 14.672 10.126 ( -2.335 -4.731 1.005) 5.371 10.282 ( -3.523 -13.170 5.842) 14.832 10.705 ( -7.597 -19.000 0.643) 20.472 10.849 ( -2.145 -7.925 0.856) 8.254 11.466 ( 3.751 -7.023 -6.491) 10.272 12.014 ( 0.382 7.546 9.604) 12.220 12.675 ( -14.004 1.148 -12.912) 19.083 13.354 ( 1.113 3.142 1.283) 3.572 13.780 ( -14.714 4.188 -16.757) 22.690 14.526 ( 25.904 -2.281 -2.504) 26.124 15.664 ( 3.964 10.465 19.044) 22.088 16.556 ( -11.968 -12.074 8.634) 19.067 17.147 ( 11.268 -15.036 12.466) 22.549 17.559 ( -16.521 8.924 -3.402) 19.083 18.393 ( -6.582 19.100 -19.627) 28.167 19.375 ( 15.876 13.033 -18.150) 27.410 20.304 ( -2.347 -6.160 4.153) 7.792 22.433 ( 0.560 -4.136 -5.060) 6.559 ======================= Grid point 32 (21/91) ======================= q-point: ( 0.29 -0.04 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 Number of triplets: 292 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.721 ( -6.449 19.664 6.801) 21.783 2.128 ( -11.218 -1.764 1.531) 11.459 2.344 ( 6.135 12.652 4.800) 14.858 2.415 ( -7.015 -1.647 4.113) 8.297 2.822 ( -2.883 -0.302 -8.957) 9.415 2.995 ( -0.172 -5.823 -10.565) 12.064 3.238 ( 7.016 2.596 -9.707) 12.256 3.344 ( -2.184 -5.449 -10.174) 11.746 3.505 ( 3.640 -5.745 4.217) 8.002 3.695 ( 3.144 -1.798 7.180) 8.042 4.197 ( 1.299 -6.657 8.447) 10.833 4.304 ( 3.121 -2.785 8.223) 9.225 4.517 ( -9.576 -4.389 0.953) 10.577 4.727 ( 5.942 12.964 0.986) 14.295 4.895 ( 0.891 1.826 3.112) 3.717 5.496 ( -6.072 3.742 1.080) 7.214 5.831 ( 1.483 -0.508 -7.691) 7.849 6.236 ( -8.074 7.068 -0.830) 10.762 6.693 ( -0.577 -0.789 4.807) 4.905 6.729 ( -1.055 1.439 -6.385) 6.630 7.110 ( 2.611 0.326 -4.169) 4.930 7.283 ( 1.741 -1.522 -2.451) 3.370 8.408 ( -0.699 1.748 -16.919) 17.024 8.864 ( 5.197 0.182 -0.739) 5.253 8.947 ( -4.555 -2.699 17.383) 18.171 9.270 ( 2.926 -3.820 4.963) 6.912 9.494 ( 6.477 -3.560 1.002) 7.459 9.607 ( 0.369 -3.832 1.953) 4.317 9.665 ( 15.006 -4.620 -3.828) 16.161 9.857 ( -8.048 -7.922 9.199) 14.565 10.136 ( 14.203 -10.448 -5.719) 18.537 10.247 ( 5.523 3.786 9.762) 11.838 10.442 ( 1.806 3.077 2.232) 4.208 10.664 ( -0.399 -2.901 8.179) 8.688 11.371 ( -0.247 -6.369 -6.205) 8.895 12.194 ( -6.032 11.767 2.675) 13.491 12.493 ( -7.192 7.066 -6.904) 12.220 13.396 ( -0.616 0.444 0.143) 0.773 13.559 ( -12.646 1.754 -15.276) 19.909 14.854 ( 18.474 -11.453 -3.979) 22.097 15.911 ( -1.844 1.016 14.881) 15.030 16.204 ( -0.737 2.577 13.008) 13.281 17.077 ( 8.221 -12.078 8.124) 16.717 17.447 ( -15.431 13.445 -1.381) 20.513 18.613 ( -6.934 16.254 -20.391) 26.983 19.664 ( 2.770 -7.941 -23.775) 25.219 20.146 ( -0.680 -0.791 12.322) 12.366 22.401 ( 3.040 -2.647 -5.160) 6.548 ======================= Grid point 34 (22/91) ======================= q-point: (-0.21 -0.04 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.269 ( 13.292 -0.713 -16.151) 20.930 1.629 ( 16.256 6.095 -13.801) 22.179 2.574 ( -5.718 -12.352 -1.272) 13.671 2.765 ( -1.445 4.005 1.891) 4.659 2.829 ( 6.844 8.025 -5.344) 11.824 2.994 ( -6.532 -6.238 -5.428) 10.538 3.115 ( 4.010 3.632 4.563) 7.078 3.249 ( 0.469 1.200 5.641) 5.786 3.517 ( -1.754 -2.602 2.244) 3.857 3.646 ( 2.318 0.269 5.177) 5.678 3.975 ( -1.276 2.653 -7.199) 7.778 4.162 ( 0.043 5.822 1.078) 5.921 4.458 ( 0.223 2.568 -1.942) 3.227 4.874 ( -1.407 -0.811 -2.154) 2.697 5.092 ( -0.783 -2.463 -1.157) 2.832 5.258 ( 6.249 0.233 -6.101) 8.737 5.777 ( 4.202 1.697 8.533) 9.662 6.300 ( -3.092 -7.136 -1.217) 7.872 6.793 ( -3.652 -2.824 6.218) 7.745 6.894 ( -5.892 -1.658 0.815) 6.175 7.186 ( 0.599 -0.414 2.784) 2.877 7.228 ( 0.542 1.739 2.348) 2.971 8.297 ( 2.297 0.805 13.967) 14.177 8.670 ( 6.269 3.890 -9.140) 11.746 8.774 ( 5.129 12.329 0.277) 13.356 9.175 ( 6.753 4.797 -1.441) 8.408 9.351 ( 6.466 9.139 -1.497) 11.295 9.474 ( 4.388 -0.555 -5.980) 7.438 9.604 ( -3.568 -2.574 -1.618) 4.688 9.801 ( 3.178 3.894 1.620) 5.281 10.155 ( 9.906 2.300 -5.875) 11.745 10.577 ( -17.260 -11.385 0.388) 20.681 10.952 ( -8.855 -1.294 0.523) 8.964 11.234 ( -4.251 -12.943 1.497) 13.705 11.387 ( -16.593 0.297 2.814) 16.832 12.055 ( -6.425 11.221 3.509) 13.398 12.900 ( 5.709 -33.188 -0.334) 33.677 13.208 ( -0.543 10.684 13.483) 17.212 13.299 ( 2.256 2.527 -0.416) 3.413 14.702 ( 8.190 17.723 10.170) 22.014 15.495 ( 7.649 3.914 -20.640) 22.357 16.928 ( -7.170 -12.129 -13.346) 19.406 17.122 ( -10.986 -4.598 2.563) 12.182 17.389 ( -0.615 2.010 -10.677) 10.882 18.344 ( 23.085 -8.522 24.375) 34.637 18.935 ( 14.361 23.840 13.364) 30.874 20.373 ( -4.767 -2.095 -3.400) 6.219 22.505 ( -2.731 -0.672 4.967) 5.708 ======================= Grid point 35 (23/91) ======================= q-point: (-0.21 -0.04 0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.504 ( 14.681 -7.234 -5.819) 17.370 1.986 ( 7.781 3.875 -6.413) 10.803 2.280 ( 1.474 -4.852 -4.680) 6.901 2.541 ( -11.149 -12.646 -4.767) 17.520 2.791 ( -0.135 0.075 9.706) 9.707 3.014 ( -2.104 5.548 12.707) 14.024 3.273 ( 5.315 3.322 8.363) 10.451 3.352 ( -4.693 -1.280 10.969) 12.000 3.518 ( 1.953 7.000 -6.321) 9.632 3.746 ( 0.381 -0.268 -10.359) 10.369 4.086 ( 5.982 11.453 -5.579) 14.074 4.373 ( 6.442 5.261 -2.087) 8.575 4.436 ( -6.850 2.547 -9.198) 11.748 4.781 ( -0.789 -8.876 4.760) 10.103 4.948 ( -3.270 -5.825 -5.522) 8.667 5.387 ( 5.039 0.396 -4.286) 6.627 5.844 ( 0.502 0.708 7.831) 7.879 6.127 ( 2.071 -7.964 -0.537) 8.247 6.706 ( -1.232 -0.139 4.774) 4.933 6.762 ( -4.069 -1.327 -0.204) 4.285 7.145 ( -0.895 -1.378 4.460) 4.753 7.296 ( 0.340 1.977 2.581) 3.269 8.378 ( 2.484 0.778 16.418) 16.623 8.824 ( 4.862 2.024 -17.540) 18.314 8.973 ( -2.498 5.201 4.069) 7.061 9.338 ( -3.716 1.829 -4.782) 6.326 9.520 ( 4.274 6.721 -0.377) 7.974 9.574 ( 1.926 7.118 -3.089) 7.995 9.712 ( 3.938 6.670 -8.523) 11.517 10.009 ( -11.798 -7.520 2.419) 14.198 10.081 ( 5.700 7.273 -3.792) 9.989 10.368 ( 4.236 2.607 -4.031) 6.402 10.638 ( -16.643 -4.904 1.467) 17.412 10.740 ( -8.978 -13.353 -2.843) 16.340 11.365 ( -1.558 6.423 4.259) 7.862 12.119 ( 0.186 -1.081 0.620) 1.260 12.423 ( 1.515 -16.593 2.804) 16.896 13.362 ( 3.220 2.137 8.648) 9.472 13.392 ( 3.857 1.031 5.938) 7.155 15.077 ( -3.626 13.756 6.301) 15.558 15.771 ( 10.037 7.970 -16.790) 21.123 16.368 ( -15.039 -14.641 -14.320) 25.409 17.053 ( 7.562 -5.630 4.510) 10.451 17.362 ( -4.873 2.432 -15.295) 16.236 18.455 ( 10.242 -10.601 24.432) 28.534 19.599 ( 9.141 17.164 22.321) 29.604 20.200 ( -5.844 -4.173 -9.088) 11.583 22.452 ( -2.258 0.419 4.927) 5.436 ======================= Grid point 36 (24/91) ======================= q-point: ( 0.29 -0.04 -0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.588 ( -19.589 0.589 5.949) 20.481 1.926 ( -14.704 -2.982 8.952) 17.471 2.466 ( 5.631 13.562 3.881) 15.189 2.733 ( 1.445 0.958 -5.949) 6.196 2.814 ( 4.960 7.848 1.668) 9.433 2.900 ( 2.413 -4.762 -9.099) 10.549 3.178 ( -2.533 -6.405 -4.890) 8.447 3.339 ( -2.037 -2.417 -2.747) 4.188 3.459 ( 3.053 1.498 -4.970) 6.022 3.744 ( -5.540 -0.088 13.030) 14.159 3.914 ( 1.529 -6.872 2.250) 7.391 4.242 ( -7.440 -6.508 1.196) 9.957 4.408 ( 5.078 -0.814 5.593) 7.598 4.869 ( -0.862 1.455 -3.221) 3.638 5.031 ( 4.452 0.185 7.972) 9.133 5.413 ( -8.841 3.733 0.396) 9.605 5.830 ( -1.141 -0.790 -7.791) 7.914 6.298 ( -2.618 8.823 -0.417) 9.213 6.709 ( 4.029 0.477 -1.089) 4.200 6.801 ( 3.116 2.460 -2.133) 4.507 7.176 ( 1.730 1.234 -3.542) 4.131 7.236 ( -0.162 -4.091 -2.829) 4.977 8.360 ( -4.024 -1.041 -15.115) 15.676 8.784 ( -5.633 -3.962 11.027) 13.001 8.830 ( -1.577 -7.120 -0.702) 7.326 9.231 ( 1.861 -6.781 -4.133) 8.156 9.389 ( -1.453 -6.418 5.815) 8.782 9.525 ( 0.426 1.561 1.103) 1.958 9.593 ( -1.229 -4.718 12.667) 13.573 9.933 ( -9.657 -5.258 0.179) 10.997 10.165 ( 20.722 3.828 1.636) 21.136 10.340 ( -2.212 0.185 5.744) 6.158 10.722 ( 16.458 3.976 -2.516) 17.118 10.954 ( 19.879 6.215 5.514) 21.545 11.260 ( -0.990 -1.998 -5.940) 6.345 12.077 ( -7.947 -3.409 -3.476) 9.320 12.821 ( 7.334 18.078 -2.473) 19.665 13.355 ( -4.245 1.177 0.084) 4.407 13.378 ( -11.998 4.279 -11.241) 16.989 14.745 ( 3.454 -20.256 -8.182) 22.117 15.662 ( -10.071 -3.761 18.204) 21.141 16.635 ( 16.952 13.422 13.665) 25.578 17.022 ( 7.022 -8.535 3.547) 11.608 17.466 ( -9.659 12.175 2.685) 15.771 18.710 ( -15.671 15.463 -23.540) 32.230 19.194 ( -12.666 -24.553 -17.971) 32.958 20.269 ( 5.835 3.063 7.547) 10.019 22.441 ( 4.111 -0.671 -5.154) 6.627 ======================= Grid point 38 (25/91) ======================= q-point: (-0.21 -0.04 -0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.395 ( -0.778 -13.057 -11.940) 17.710 2.012 ( -6.840 -13.591 -8.196) 17.282 2.230 ( 6.543 3.221 -1.492) 7.444 2.552 ( 10.930 10.032 -0.564) 14.847 2.830 ( 3.928 0.498 9.154) 9.973 3.071 ( -1.171 1.572 9.904) 10.096 3.203 ( -4.792 -1.164 9.572) 10.768 3.411 ( 3.214 1.528 12.896) 13.378 3.552 ( -4.828 -1.310 -4.540) 6.756 3.709 ( -3.044 -1.496 -12.749) 13.192 4.193 ( -6.650 -7.963 -6.245) 12.109 4.323 ( -4.067 -2.042 -5.431) 7.086 4.576 ( -5.726 -0.895 -2.210) 6.203 4.606 ( 8.905 6.409 -4.566) 11.883 4.894 ( 0.276 2.202 0.033) 2.219 5.421 ( 2.744 -4.297 -4.380) 6.722 5.832 ( -1.810 -0.582 7.637) 7.870 6.143 ( 9.459 -1.913 -0.398) 9.659 6.719 ( 1.404 0.605 6.474) 6.652 6.750 ( 0.274 4.415 -2.184) 4.933 7.113 ( -1.822 0.668 4.710) 5.094 7.293 ( -2.083 -0.327 1.791) 2.766 8.369 ( -1.508 -2.327 16.636) 16.865 8.814 ( -4.321 -4.100 -7.534) 9.605 9.001 ( -1.296 1.973 -9.608) 9.894 9.309 ( -4.725 0.445 -5.723) 7.435 9.516 ( -3.906 -2.813 0.666) 4.859 9.575 ( -9.847 0.139 -5.400) 11.232 9.838 ( 2.364 -7.721 -5.777) 9.929 9.884 ( -3.280 9.299 2.542) 10.182 10.121 ( -3.718 -5.318 -0.675) 6.524 10.303 ( -8.092 1.372 -3.182) 8.803 10.554 ( 8.121 17.130 0.568) 18.966 10.766 ( 7.216 6.935 -2.644) 10.352 11.477 ( 2.166 2.884 5.753) 6.789 12.033 ( -1.251 0.072 -11.515) 11.583 12.421 ( 11.321 -3.084 13.405) 17.815 13.377 ( -1.090 -1.631 -0.929) 2.170 13.510 ( 11.333 -3.965 16.145) 20.120 14.999 ( -20.970 3.396 4.546) 21.724 15.776 ( -7.866 -10.281 -17.556) 21.812 16.333 ( 11.835 13.328 -11.991) 21.482 17.171 ( 17.743 -6.801 5.470) 19.773 17.340 ( -6.219 7.037 -17.310) 19.693 18.350 ( 0.322 -11.149 23.645) 26.144 19.642 ( -12.182 -9.255 20.449) 25.538 20.223 ( 5.815 5.949 -6.252) 10.406 22.448 ( -0.786 2.265 4.880) 5.437 ======================= Grid point 39 (26/91) ======================= q-point: (-0.21 -0.04 -0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.200 ( 2.361 -7.636 -21.581) 23.013 1.559 ( -8.747 -14.615 -16.685) 23.843 2.518 ( 8.747 7.330 3.656) 11.984 2.834 ( -2.841 -3.548 -6.913) 8.274 2.901 ( 0.428 -4.045 5.641) 6.954 2.971 ( -0.222 4.087 1.362) 4.314 3.190 ( -4.245 -12.989 -8.771) 16.237 3.282 ( 4.269 6.108 13.962) 15.826 3.491 ( -3.721 -5.664 -7.145) 9.847 3.591 ( 1.813 5.178 10.368) 11.730 3.992 ( -3.454 -2.472 -8.455) 9.462 4.249 ( -2.227 1.340 0.080) 2.600 4.449 ( -5.730 -2.902 4.198) 7.674 4.811 ( 1.753 4.459 -6.004) 7.681 4.971 ( 1.615 3.702 -3.207) 5.157 5.353 ( 0.878 -6.868 -4.324) 8.163 5.758 ( -1.883 -3.273 8.603) 9.395 6.328 ( 7.611 1.612 -1.209) 7.873 6.803 ( 3.093 2.444 6.934) 7.976 6.885 ( 1.682 7.378 -0.442) 7.581 7.105 ( -1.725 2.074 3.519) 4.434 7.240 ( -1.083 -0.732 1.256) 1.813 8.289 ( -0.995 -2.090 13.840) 14.033 8.627 ( -6.761 -3.463 -0.161) 7.598 8.839 ( -9.514 -8.666 -10.802) 16.802 9.162 ( -0.912 -4.823 -4.651) 6.762 9.306 ( -11.532 -6.111 -5.552) 14.183 9.511 ( -1.418 -5.503 -1.305) 5.831 9.643 ( 4.038 -1.242 0.800) 4.300 9.793 ( -5.078 0.122 4.914) 7.067 10.082 ( -0.775 -5.176 -6.077) 8.020 10.592 ( 10.624 16.239 -1.605) 19.472 10.975 ( 1.217 6.437 0.299) 6.557 11.061 ( 8.176 16.703 2.979) 18.834 11.545 ( 3.744 1.542 6.413) 7.585 12.092 ( -11.399 14.622 -12.481) 22.350 12.620 ( 17.260 -4.553 13.713) 22.509 13.283 ( -2.232 -4.265 -2.581) 5.462 13.647 ( 13.363 -10.508 18.101) 24.832 14.538 ( -24.891 -1.309 5.027) 25.428 15.491 ( -4.034 -7.745 -21.267) 22.990 16.772 ( 8.081 10.219 -5.651) 14.201 17.380 ( 0.435 4.121 -15.766) 16.301 17.472 ( 12.294 4.411 -3.629) 13.556 18.040 ( -4.471 -17.512 25.721) 31.436 19.059 ( -16.917 -19.935 15.244) 30.265 20.395 ( 2.076 3.394 -1.666) 4.313 22.501 ( 0.664 3.022 4.907) 5.800 ======================= Grid point 40 (27/91) ======================= q-point: ( 0.29 -0.04 -0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.126 ( -1.280 1.542 25.278) 25.358 1.348 ( -7.777 12.583 20.197) 25.035 2.533 ( -17.332 14.457 34.261) 41.027 2.699 ( 9.943 -5.489 -2.267) 11.582 2.861 ( -2.683 -4.233 -8.579) 9.936 3.034 ( 0.885 3.895 -3.117) 5.066 3.097 ( 0.815 -4.407 -1.023) 4.597 3.354 ( -2.149 -4.242 -2.986) 5.615 3.467 ( 6.118 1.582 -4.864) 7.974 3.680 ( 3.980 -3.977 -12.610) 13.809 3.990 ( 2.692 -1.233 10.625) 11.030 4.213 ( -5.957 -4.387 -5.567) 9.259 4.376 ( -3.508 8.802 -3.878) 10.238 4.902 ( 3.478 -0.499 7.074) 7.899 5.039 ( 3.453 2.794 1.950) 4.852 5.219 ( -6.846 0.463 7.743) 10.346 5.695 ( -3.050 3.734 -10.142) 11.230 6.390 ( 4.233 -5.226 2.153) 7.061 6.846 ( 2.241 -2.291 -5.756) 6.588 6.963 ( 0.430 -0.530 -3.743) 3.805 7.172 ( 3.904 0.141 -1.887) 4.339 7.226 ( -0.305 -0.644 -1.823) 1.957 8.278 ( 1.117 0.054 -11.627) 11.680 8.552 ( -5.834 5.903 3.938) 9.186 8.622 ( -12.232 10.269 2.030) 16.100 9.058 ( -5.135 4.177 4.567) 8.042 9.138 ( -8.588 11.328 5.422) 15.214 9.441 ( -1.376 0.698 -6.920) 7.090 9.688 ( 3.424 -4.361 -1.556) 5.759 9.778 ( -1.318 0.578 -0.703) 1.602 10.001 ( -3.153 5.370 9.949) 11.737 10.850 ( 11.436 -12.069 -1.321) 16.678 11.067 ( 2.490 -2.714 -2.537) 4.472 11.288 ( 5.342 -1.954 -5.037) 7.598 11.654 ( 13.604 -13.137 0.840) 18.930 12.259 ( -7.427 -7.469 -3.395) 11.067 12.682 ( 19.220 7.416 -0.780) 20.616 13.202 ( -4.552 2.529 3.055) 6.038 13.378 ( -17.295 -4.571 -17.593) 25.090 14.461 ( -6.952 14.908 -7.183) 17.949 15.380 ( -4.058 4.349 22.402) 23.178 16.933 ( 7.437 -0.228 0.901) 7.495 17.360 ( -7.524 1.823 5.483) 9.487 17.505 ( -1.629 -19.849 9.613) 22.114 17.894 ( 3.572 22.006 -12.840) 25.727 18.673 ( -18.962 13.052 -8.765) 24.632 20.436 ( 1.198 -1.866 0.931) 2.405 22.545 ( 1.665 -1.534 -4.981) 5.472 ======================= Grid point 41 (28/91) ======================= q-point: ( 0.44 -0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.798 ( -0.540 9.950 13.227) 16.561 2.148 ( -1.049 12.767 14.701) 19.499 2.463 ( -4.208 -1.960 -6.778) 8.215 2.628 ( -0.231 -6.153 -7.935) 10.043 2.793 ( 7.356 -0.565 -3.405) 8.126 2.914 ( 0.700 -2.727 -9.288) 9.706 2.977 ( -7.240 1.042 -0.601) 7.339 3.242 ( 6.043 -7.221 -9.454) 13.343 3.431 ( -0.562 -1.168 5.595) 5.743 3.948 ( -2.290 3.832 9.776) 10.747 4.086 ( 7.643 2.100 7.878) 11.175 4.121 ( -1.857 6.419 -2.794) 7.243 4.382 ( -2.392 -0.331 -1.799) 3.011 4.838 ( 0.914 -2.212 -2.650) 3.571 5.180 ( -5.923 -1.098 9.906) 11.594 5.468 ( 3.509 3.603 -0.827) 5.097 5.697 ( -0.866 2.100 -2.625) 3.471 6.408 ( 1.038 -1.104 1.721) 2.293 6.665 ( 0.736 1.544 -4.705) 5.007 6.857 ( -0.061 -2.118 3.654) 4.224 7.002 ( -3.731 -0.272 -6.180) 7.224 7.144 ( 1.485 -1.231 -5.405) 5.739 8.078 ( -0.484 2.380 -9.355) 9.665 8.647 ( -3.862 2.532 0.589) 4.655 8.967 ( 2.726 3.387 0.830) 4.426 9.113 ( 5.664 -0.589 -0.507) 5.717 9.459 ( -1.461 0.837 5.996) 6.228 9.580 ( 1.202 -3.117 0.270) 3.351 9.768 ( -5.040 1.874 5.315) 7.561 9.957 ( 1.682 15.728 11.264) 19.418 10.210 ( -1.965 -15.137 1.143) 15.306 10.427 ( -2.725 -11.244 1.520) 11.669 10.731 ( 6.290 -5.205 -1.610) 8.322 10.931 ( -9.671 -5.416 -1.511) 11.187 11.239 ( 6.136 -5.813 -4.316) 9.491 12.149 ( 6.318 3.954 8.433) 11.254 12.632 ( -10.775 0.884 -12.883) 16.818 13.355 ( 0.782 2.649 -0.749) 2.861 13.543 ( 11.857 3.798 -6.380) 13.991 14.280 ( -6.984 -0.459 -3.019) 7.623 16.017 ( 0.478 6.706 16.686) 17.990 16.870 ( -8.009 -5.929 -1.541) 10.083 17.092 ( 9.239 -16.315 8.388) 20.540 17.728 ( 4.954 5.136 6.425) 9.602 18.221 ( -13.799 17.203 -19.139) 29.200 18.781 ( 7.695 8.727 -10.865) 15.919 20.441 ( 0.099 -2.031 5.494) 5.858 22.334 ( -0.167 -3.802 -3.693) 5.303 ======================= Grid point 42 (29/91) ======================= q-point: (-0.06 -0.06 0.06) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.560 ( 0.000 0.000 -26.880) 26.880 0.560 ( 0.000 0.000 -26.880) 26.880 1.109 ( 0.000 0.000 -52.257) 52.257 2.998 ( -0.000 -0.000 5.743) 5.743 2.998 ( -0.000 -0.000 5.743) 5.743 3.037 ( 0.000 0.000 -2.932) 2.932 3.169 ( 0.000 0.000 -1.487) 1.487 3.169 ( 0.000 0.000 -1.487) 1.487 3.792 ( -0.000 -0.000 2.939) 2.939 4.096 ( 0.000 0.000 -5.702) 5.702 4.184 ( -0.000 -0.000 19.787) 19.787 4.279 ( -0.000 -0.000 5.633) 5.633 4.279 ( -0.000 -0.000 5.633) 5.633 4.745 ( 0.000 0.000 -7.314) 7.314 4.745 ( 0.000 0.000 -7.314) 7.314 4.921 ( 0.000 0.000 -12.394) 12.394 5.900 ( -0.000 -0.000 12.259) 12.259 6.431 ( 0.000 0.000 -4.186) 4.186 6.964 ( -0.000 -0.000 2.580) 2.580 6.964 ( -0.000 -0.000 2.580) 2.580 7.255 ( 0.000 0.000 -0.415) 0.415 7.315 ( -0.000 -0.000 2.063) 2.063 8.290 ( 0.000 0.000 -0.787) 0.787 8.290 ( 0.000 0.000 -0.787) 0.787 8.647 ( -0.000 -0.000 13.328) 13.328 8.832 ( 0.000 0.000 -4.824) 4.824 8.832 ( 0.000 0.000 -4.824) 4.824 9.500 ( 0.000 0.000 -18.037) 18.037 9.665 ( -0.000 -0.000 9.922) 9.922 9.836 ( -0.000 -0.000 2.284) 2.284 9.836 ( -0.000 -0.000 2.284) 2.284 11.184 ( -0.000 -0.000 2.114) 2.114 11.184 ( -0.000 -0.000 2.114) 2.114 11.419 ( -0.000 -0.000 3.649) 3.649 12.276 ( 0.000 0.000 -2.961) 2.961 12.382 ( -0.000 -0.000 7.960) 7.960 12.864 ( -0.000 -0.000 3.107) 3.107 12.864 ( -0.000 -0.000 3.107) 3.107 13.045 ( 0.000 0.000 -3.075) 3.075 14.413 ( -0.000 -0.000 5.171) 5.171 14.856 ( 0.000 0.000 -18.063) 18.063 17.008 ( 0.000 0.000 -1.574) 1.574 17.008 ( 0.000 0.000 -1.574) 1.574 17.535 ( 0.000 0.000 -6.799) 6.799 17.535 ( 0.000 0.000 -6.799) 6.799 18.478 ( -0.000 -0.000 4.409) 4.409 20.460 ( -0.000 -0.000 0.022) 0.022 22.654 ( -0.000 -0.000 2.089) 2.089 ======================= Grid point 43 (30/91) ======================= q-point: (-0.06 -0.06 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.663 ( 13.916 2.762 -16.201) 21.535 0.962 ( 20.091 10.026 -16.561) 27.901 1.825 ( 23.995 33.655 -29.597) 50.837 2.763 ( -7.900 -8.904 3.639) 12.447 3.015 ( -4.408 0.503 2.843) 5.269 3.074 ( -3.606 -2.534 1.366) 4.614 3.107 ( 2.764 2.095 2.555) 4.308 3.286 ( 6.093 2.683 -4.934) 8.286 3.614 ( -5.906 -6.857 3.256) 9.618 3.709 ( 0.233 1.287 -11.625) 11.698 4.002 ( -5.197 -5.973 14.409) 16.441 4.276 ( -3.692 -1.624 0.146) 4.035 4.408 ( -0.742 3.759 -0.580) 3.875 4.791 ( 3.410 0.903 -2.355) 4.242 4.978 ( 7.151 -0.477 -7.716) 10.531 5.200 ( -0.906 3.306 8.961) 9.594 5.921 ( 2.329 1.862 10.687) 11.095 6.336 ( -3.887 -3.055 -3.268) 5.926 6.950 ( -1.256 -0.534 3.626) 3.874 7.036 ( -1.712 -2.498 2.793) 4.119 7.161 ( -1.862 -4.573 -2.687) 5.621 7.238 ( 0.143 -0.131 -0.290) 0.349 8.433 ( 0.702 3.496 -0.958) 3.692 8.527 ( 10.260 3.249 2.544) 11.059 8.697 ( 4.623 4.319 10.309) 12.095 8.918 ( 3.309 5.664 -6.704) 9.379 9.019 ( 9.977 6.258 -5.641) 13.059 9.592 ( -1.422 -1.072 5.372) 5.660 9.716 ( 2.175 -3.339 1.977) 4.449 9.750 ( -4.074 7.460 0.751) 8.534 9.939 ( 6.097 2.581 0.019) 6.621 10.871 ( -12.918 -12.072 1.533) 17.747 11.096 ( -4.008 -5.107 0.574) 6.517 11.294 ( -9.624 -12.132 -7.712) 17.300 11.541 ( -5.061 0.252 -4.912) 7.057 12.349 ( 4.494 -10.262 3.640) 11.780 12.743 ( -4.573 -6.013 3.968) 8.533 13.140 ( 4.056 4.369 -2.390) 6.423 13.800 ( -16.302 16.095 20.095) 30.473 14.661 ( 21.449 5.690 11.076) 24.802 14.966 ( 7.973 3.955 -15.131) 17.554 16.841 ( -7.667 -10.190 -6.005) 14.096 17.130 ( 0.635 -0.816 -12.364) 12.407 17.377 ( -14.589 1.490 -1.801) 14.775 18.471 ( 25.395 0.625 29.613) 39.015 18.936 ( 18.924 31.752 24.456) 44.322 20.461 ( -2.304 0.587 4.888) 5.436 22.624 ( -1.174 -1.311 2.709) 3.230 ======================= Grid point 44 (31/91) ======================= q-point: ( 0.44 -0.06 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.029 ( -2.158 16.280 11.130) 19.839 2.319 ( -7.343 -0.627 -0.333) 7.377 2.389 ( 0.359 10.243 6.538) 12.157 2.486 ( -2.748 -2.812 -7.325) 8.314 2.782 ( -4.210 -3.471 -6.282) 8.321 2.822 ( -1.119 -0.075 -10.058) 10.120 2.996 ( -4.690 3.564 -1.129) 5.998 3.153 ( 1.405 -2.611 -6.697) 7.324 3.483 ( 8.188 -3.863 5.527) 10.607 3.855 ( -0.701 -8.024 7.695) 11.139 4.192 ( 10.622 -2.186 4.887) 11.895 4.261 ( 1.628 -4.231 -4.067) 6.090 4.468 ( 3.431 5.835 -8.216) 10.645 4.901 ( -1.154 5.703 6.820) 8.965 4.993 ( -6.903 0.193 5.213) 8.653 5.551 ( 0.326 0.220 -0.984) 1.060 5.696 ( 1.426 -1.849 -3.359) 4.091 6.356 ( -4.536 2.481 0.778) 5.228 6.704 ( -4.299 3.660 -1.582) 5.863 6.827 ( -3.253 3.947 0.117) 5.116 6.978 ( -2.193 1.493 -3.844) 4.670 7.161 ( 4.041 -2.622 -3.791) 6.130 8.123 ( -1.486 3.986 -10.777) 11.586 8.710 ( 3.876 1.492 -0.073) 4.154 9.183 ( 13.239 -2.546 -2.517) 13.714 9.223 ( 16.647 -4.610 -3.645) 17.654 9.388 ( -0.982 -5.002 6.689) 8.410 9.443 ( -1.740 -13.138 1.960) 13.397 9.680 ( -0.198 -1.897 5.552) 5.870 9.859 ( 2.350 -16.809 -1.580) 17.046 10.203 ( -5.264 -1.118 11.959) 13.114 10.340 ( 5.470 13.942 12.116) 19.265 10.645 ( -9.170 -4.095 4.149) 10.866 10.806 ( 3.085 0.127 6.385) 7.092 11.196 ( 3.026 -7.728 -5.755) 10.100 12.370 ( -5.423 10.609 2.628) 12.201 12.492 ( -6.143 7.375 -6.553) 11.621 13.374 ( -2.796 0.753 -5.298) 6.037 13.490 ( -10.222 -0.698 -11.923) 15.720 14.429 ( 18.877 -5.559 -0.384) 19.682 16.175 ( 2.341 5.889 11.369) 13.016 16.553 ( -8.162 -6.717 9.198) 14.013 17.011 ( 11.406 -14.632 4.833) 19.172 17.682 ( -12.970 8.699 -2.005) 15.745 18.439 ( -5.955 17.355 -10.287) 21.035 19.058 ( 6.015 1.871 -23.709) 24.532 20.383 ( -0.968 -1.998 7.866) 8.174 22.272 ( 2.101 -3.984 -1.444) 4.730 ======================= Grid point 45 (32/91) ======================= q-point: ( 0.44 -0.06 -0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.030 ( -14.585 1.248 6.157) 15.880 2.308 ( -5.509 7.764 8.606) 12.834 2.452 ( 1.381 3.669 -3.756) 5.429 2.541 ( 3.017 -2.675 -6.897) 7.989 2.686 ( -3.311 3.689 -3.412) 6.018 2.868 ( -3.315 4.482 1.561) 5.789 2.959 ( 4.940 4.425 -14.734) 16.158 3.156 ( -2.892 -1.854 -2.380) 4.179 3.481 ( 3.390 -8.334 6.190) 10.921 3.804 ( 7.249 -0.143 6.844) 9.971 4.178 ( 3.065 -9.014 2.941) 9.964 4.295 ( 1.900 -2.259 -4.774) 5.613 4.475 ( -5.369 -4.219 2.016) 7.119 4.775 ( -4.246 4.365 -1.694) 6.321 5.172 ( 2.906 5.111 6.968) 9.116 5.500 ( -2.287 -1.508 -2.302) 3.578 5.710 ( 2.351 -1.139 -2.883) 3.891 6.353 ( -3.271 4.773 0.778) 5.838 6.704 ( -3.701 3.380 -0.916) 5.095 6.821 ( -5.243 4.818 2.461) 7.534 6.995 ( 2.028 1.373 -7.373) 7.769 7.153 ( 1.468 -4.168 -3.804) 5.830 8.141 ( -3.436 1.757 -10.981) 11.639 8.729 ( 1.684 -4.013 -3.477) 5.570 9.086 ( -1.343 -10.145 2.199) 10.467 9.199 ( 1.364 -13.789 3.304) 14.244 9.435 ( 6.668 -2.238 2.922) 7.617 9.504 ( 8.740 -1.581 1.952) 9.094 9.687 ( 14.280 1.082 -4.096) 14.895 9.869 ( 12.170 -3.002 1.932) 12.683 10.109 ( -4.690 2.641 15.828) 16.718 10.427 ( -5.735 -2.512 4.776) 7.875 10.617 ( 0.078 5.738 7.455) 9.408 10.924 ( 8.206 1.878 12.783) 15.306 11.095 ( 0.852 -4.602 -9.655) 10.730 12.234 ( -14.788 5.585 -3.441) 16.177 12.704 ( 1.000 6.050 -0.897) 6.197 13.307 ( -7.992 11.548 -13.749) 19.653 13.405 ( -0.605 -0.865 -0.573) 1.201 14.498 ( 9.099 -16.663 -3.463) 19.299 16.153 ( -6.183 -1.968 11.449) 13.159 16.600 ( 9.510 9.161 8.042) 15.461 16.958 ( 9.585 -11.912 5.619) 16.289 17.681 ( -8.681 11.730 0.716) 14.610 18.554 ( -10.987 10.152 -15.237) 21.353 18.957 ( -6.406 -9.805 -20.802) 23.872 20.385 ( 1.931 0.990 7.985) 8.275 22.275 ( 4.145 -2.095 -1.589) 4.909 ======================= Grid point 46 (33/91) ======================= q-point: (-0.06 -0.06 0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.076 ( 22.424 1.501 -2.228) 22.584 1.542 ( 18.071 12.780 -10.794) 24.625 2.379 ( -12.574 -8.991 2.683) 15.689 2.676 ( -12.608 -8.192 -5.084) 15.872 2.890 ( 13.445 23.327 -9.295) 28.484 3.042 ( 1.338 3.402 5.640) 6.721 3.266 ( 5.803 5.150 2.852) 8.266 3.429 ( 2.173 -0.631 -1.035) 2.488 3.461 ( -0.225 3.027 5.076) 5.914 3.790 ( -5.037 -6.204 11.197) 13.756 3.928 ( 10.320 4.782 -7.154) 13.437 4.164 ( -3.021 -0.937 -4.864) 5.802 4.390 ( -7.040 3.861 -7.927) 11.283 4.847 ( 5.559 -7.374 4.817) 10.415 4.986 ( -3.976 -8.013 2.046) 9.177 5.193 ( 0.502 6.759 -7.054) 9.783 6.010 ( 2.733 1.540 9.868) 10.354 6.165 ( -5.869 -4.307 -0.096) 7.280 6.808 ( -5.398 -6.300 -0.532) 8.313 6.901 ( -1.677 -1.188 5.544) 5.913 7.156 ( 1.656 -0.938 -1.866) 2.665 7.296 ( 3.071 1.300 0.303) 3.348 8.458 ( -0.750 1.630 -9.107) 9.282 8.691 ( 3.191 1.956 12.801) 13.337 8.972 ( 9.721 5.213 2.353) 11.279 9.163 ( 8.858 4.473 -5.564) 11.377 9.326 ( 8.523 4.347 -9.135) 13.229 9.555 ( -5.953 1.890 -1.450) 6.412 9.580 ( 0.718 2.516 3.681) 4.516 9.968 ( 4.640 8.203 3.863) 10.186 10.138 ( 8.274 4.616 -3.200) 10.000 10.324 ( -14.629 -16.653 0.578) 22.173 10.833 ( -9.524 -9.371 -1.381) 13.433 10.903 ( -7.461 -10.793 -2.433) 13.345 11.518 ( -5.372 4.480 1.673) 7.192 12.078 ( 2.586 -22.351 -4.109) 22.873 12.590 ( -8.460 3.850 7.657) 12.042 13.298 ( 3.503 3.498 -1.329) 5.125 13.713 ( -10.556 7.681 12.132) 17.822 15.122 ( 15.568 5.342 5.777) 17.444 15.243 ( 9.979 7.201 -12.324) 17.416 16.370 ( -14.810 -15.427 -10.598) 23.867 17.103 ( -0.780 -1.330 -11.683) 11.784 17.162 ( -9.428 1.248 3.072) 9.994 18.782 ( 12.688 -1.014 22.344) 25.715 19.608 ( 11.033 12.299 3.524) 16.894 20.365 ( -7.916 -0.137 8.559) 11.659 22.578 ( -0.866 -1.176 3.902) 4.166 ======================= Grid point 47 (34/91) ======================= q-point: (-0.06 -0.06 -0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.388 ( 0.000 0.000 3.035) 3.035 1.958 ( 0.000 0.000 -1.550) 1.550 2.197 ( 0.000 0.000 -6.699) 6.699 2.208 ( -0.000 -0.000 -5.986) 5.986 2.977 ( 0.000 0.000 7.242) 7.242 3.339 ( 0.000 0.000 11.436) 11.436 3.415 ( 0.000 0.000 2.805) 2.805 3.503 ( 0.000 0.000 -3.151) 3.151 3.551 ( 0.000 0.000 -1.025) 1.025 3.637 ( 0.000 0.000 8.882) 8.882 4.081 ( -0.000 0.000 -9.299) 9.299 4.263 ( -0.000 0.000 -10.114) 10.114 4.294 ( 0.000 -0.000 -7.807) 7.807 4.637 ( 0.000 0.000 0.826) 0.826 4.927 ( 0.000 0.000 5.437) 5.437 5.284 ( 0.000 0.000 -6.579) 6.579 6.041 ( 0.000 0.000 0.369) 0.369 6.061 ( 0.000 0.000 10.433) 10.433 6.689 ( 0.000 0.000 -2.593) 2.593 6.870 ( 0.000 0.000 6.801) 6.801 7.164 ( 0.000 0.000 -1.171) 1.171 7.344 ( 0.000 0.000 0.700) 0.700 8.470 ( 0.000 0.000 -14.271) 14.271 8.747 ( 0.000 0.000 16.358) 16.358 9.155 ( 0.000 0.000 7.894) 7.894 9.212 ( -0.000 0.000 -5.298) 5.298 9.489 ( 0.000 0.000 -10.874) 10.874 9.618 ( 0.000 0.000 -8.389) 8.389 9.633 ( -0.000 -0.000 2.512) 2.512 9.908 ( -0.000 0.000 0.632) 0.632 10.168 ( 0.000 -0.000 -1.241) 1.241 10.442 ( -0.000 -0.000 1.728) 1.728 10.450 ( 0.000 0.000 -3.464) 3.464 10.665 ( 0.000 0.000 2.236) 2.236 11.510 ( 0.000 -0.000 2.481) 2.481 11.843 ( 0.000 0.000 -6.905) 6.905 12.550 ( 0.000 -0.000 8.295) 8.295 13.368 ( 0.000 0.000 -0.862) 0.862 13.695 ( 0.000 0.000 11.249) 11.249 15.306 ( 0.000 0.000 3.893) 3.893 15.612 ( -0.000 -0.000 -11.036) 11.036 15.887 ( 0.000 0.000 -11.514) 11.514 17.058 ( 0.000 0.000 -2.242) 2.242 17.104 ( 0.000 0.000 -4.732) 4.732 18.898 ( 0.000 0.000 24.092) 24.092 19.861 ( 0.000 0.000 -13.964) 13.964 20.241 ( 0.000 0.000 16.385) 16.385 22.558 ( 0.000 0.000 4.355) 4.355 ======================= Grid point 50 (35/91) ======================= q-point: ( 0.44 -0.06 -0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.662 ( -1.893 -1.169 21.824) 21.937 1.930 ( -9.779 2.977 18.338) 20.994 2.473 ( 7.656 -3.944 -0.292) 8.617 2.649 ( 2.016 -5.493 -13.098) 14.346 2.878 ( 1.430 -1.773 -6.237) 6.640 2.915 ( 2.057 1.903 -4.797) 5.556 2.981 ( 7.118 -6.752 -9.846) 13.900 3.322 ( 4.372 -6.165 -6.601) 10.035 3.510 ( -4.227 6.881 7.136) 10.776 3.730 ( -15.185 8.239 14.482) 22.543 4.089 ( 0.334 2.575 1.964) 3.256 4.222 ( -4.048 1.897 -3.504) 5.679 4.384 ( -3.206 8.676 0.315) 9.255 4.894 ( 6.370 -1.374 0.629) 6.546 5.065 ( 1.774 -8.118 4.778) 9.585 5.474 ( -3.262 3.416 6.493) 8.029 5.636 ( -4.854 2.637 -2.769) 6.179 6.361 ( 2.597 -7.208 1.751) 7.859 6.682 ( 3.074 -2.687 -3.483) 5.366 6.896 ( 2.380 -1.852 0.164) 3.020 6.983 ( 4.507 -0.408 -6.914) 8.263 7.181 ( -1.218 2.068 -4.033) 4.693 8.055 ( 0.516 -0.973 -7.421) 7.503 8.636 ( -0.943 7.943 0.946) 8.055 9.028 ( -10.502 14.076 5.783) 18.490 9.212 ( -8.980 0.690 1.688) 9.163 9.399 ( -3.806 11.371 4.502) 12.808 9.582 ( -17.365 0.357 -0.255) 17.370 9.653 ( -1.246 -0.875 2.537) 2.959 9.708 ( -0.273 2.125 -1.009) 2.368 10.246 ( 3.749 -3.071 8.863) 10.102 10.627 ( 10.644 -8.956 0.840) 13.936 10.923 ( 4.581 1.638 -4.673) 6.746 10.964 ( 14.184 -5.051 -6.095) 16.243 11.388 ( 2.966 -0.280 -8.237) 8.759 12.312 ( -2.910 -8.355 -2.753) 9.266 12.405 ( 13.743 1.558 5.287) 14.807 13.301 ( -6.769 -9.852 -10.805) 16.113 13.346 ( -5.618 -2.601 0.037) 6.191 14.464 ( -4.111 19.891 -2.084) 20.418 15.928 ( -5.610 2.784 19.331) 20.320 16.808 ( 3.693 -4.396 -2.467) 6.249 17.492 ( -1.643 7.147 -8.507) 11.231 17.542 ( 2.293 -19.760 -3.698) 20.233 17.876 ( 1.211 4.683 19.809) 20.391 18.765 ( -12.297 9.471 -12.281) 19.792 20.457 ( 1.058 -1.173 3.057) 3.441 22.390 ( 1.974 -0.075 -5.394) 5.744 ======================= Grid point 53 (36/91) ======================= q-point: ( 0.44 -0.06 -0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.676 ( 0.722 2.970 21.279) 21.497 1.950 ( -2.024 10.259 16.430) 19.475 2.559 ( 2.000 -4.746 -9.112) 10.467 2.603 ( 8.088 -1.732 -0.392) 8.281 2.778 ( -1.199 -5.808 -10.955) 12.457 2.942 ( 2.817 -3.277 -7.769) 8.890 3.044 ( 4.910 -2.859 -2.225) 6.101 3.242 ( 2.913 -6.366 -6.543) 9.582 3.507 ( -5.612 2.735 6.561) 9.057 3.745 ( -7.580 15.992 12.321) 21.564 4.071 ( -1.374 -2.744 1.794) 3.554 4.181 ( -4.837 2.035 2.923) 6.007 4.417 ( -5.996 4.927 -4.204) 8.827 4.906 ( 1.576 -6.716 0.812) 6.946 5.132 ( 8.904 3.049 1.371) 9.511 5.429 ( -5.176 1.083 8.700) 10.181 5.650 ( -2.483 5.509 -3.317) 6.893 6.338 ( 6.800 -3.698 2.245) 8.059 6.685 ( 2.721 -3.662 -3.100) 5.516 6.865 ( 1.272 -2.370 -2.257) 3.511 7.076 ( 3.129 -1.599 -6.761) 7.620 7.160 ( -3.396 0.450 -3.412) 4.835 8.056 ( 0.781 -0.191 -7.837) 7.879 8.769 ( -8.036 2.360 -0.892) 8.423 8.879 ( -8.409 9.334 10.005) 16.060 9.124 ( -10.689 3.354 -1.897) 11.362 9.414 ( -3.733 7.129 2.396) 8.397 9.575 ( 0.186 4.721 2.524) 5.357 9.681 ( -3.093 11.273 2.774) 12.014 9.769 ( -1.587 4.207 0.472) 4.521 10.337 ( 0.896 4.918 11.229) 12.292 10.549 ( 9.634 -15.849 -2.982) 18.786 10.888 ( 0.659 -10.484 -6.575) 12.393 11.129 ( 4.977 -1.404 -7.184) 8.852 11.285 ( -0.327 -11.902 -6.731) 13.677 12.065 ( 2.802 -6.787 4.679) 8.706 12.885 ( -10.888 -6.126 -14.563) 19.187 12.958 ( 25.004 7.557 4.880) 26.573 13.347 ( -0.716 2.811 2.639) 3.922 14.532 ( -17.544 7.621 -6.013) 20.051 15.924 ( -2.689 5.187 19.142) 20.014 16.935 ( 5.277 3.283 -8.028) 10.153 17.288 ( 9.506 -18.227 13.354) 24.513 17.432 ( -5.228 6.876 -8.932) 12.425 18.170 ( 7.191 6.492 10.021) 13.938 18.656 ( -13.873 8.202 -13.126) 20.785 20.454 ( 1.135 -1.189 3.415) 3.790 22.393 ( 0.080 -1.813 -5.506) 5.798 ======================= Grid point 54 (37/91) ======================= q-point: (-0.42 -0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 Number of triplets: 292 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.055 ( 0.800 6.174 -12.478) 13.945 2.294 ( -0.090 -4.907 -12.571) 13.495 2.431 ( 1.332 2.353 5.771) 6.373 2.522 ( -2.887 0.862 -0.094) 3.015 2.691 ( 0.683 5.789 11.091) 12.530 2.824 ( -2.163 -1.664 -2.238) 3.530 3.021 ( 5.834 2.667 0.792) 6.463 3.207 ( -4.280 8.307 6.750) 11.528 3.478 ( -0.297 -2.654 1.535) 3.081 3.917 ( 1.684 -9.583 -3.079) 10.205 4.062 ( -1.699 -3.361 -5.189) 6.412 4.167 ( 3.745 -2.356 1.338) 4.623 4.357 ( -3.998 -2.979 -4.556) 6.754 4.879 ( 2.918 9.104 2.045) 9.776 5.289 ( -3.412 -1.774 1.126) 4.007 5.425 ( 2.487 -1.829 -2.229) 3.808 5.638 ( -0.608 -4.730 -2.472) 5.371 6.434 ( -0.218 1.069 1.471) 1.832 6.689 ( -0.624 6.519 -2.347) 6.957 6.892 ( -0.365 -1.369 -1.835) 2.318 6.984 ( 0.648 4.517 4.599) 6.479 7.050 ( 1.036 -0.151 0.017) 1.047 8.019 ( -0.527 4.422 -1.989) 4.877 8.645 ( 3.408 -1.331 -2.455) 4.406 8.945 ( 0.719 -1.996 -2.653) 3.397 9.041 ( -6.219 -7.994 -0.109) 10.129 9.445 ( -1.282 -10.510 -1.016) 10.637 9.541 ( -0.171 -10.035 3.924) 10.776 9.649 ( 3.654 -5.037 -2.283) 6.628 9.815 ( 0.373 -14.848 -3.674) 15.300 10.452 ( 1.712 9.396 -0.016) 9.551 10.602 ( 3.673 12.873 17.511) 22.041 10.751 ( -9.302 2.608 -5.098) 10.923 10.909 ( 4.419 2.602 7.712) 9.262 11.167 ( -1.171 -2.987 7.540) 8.195 12.420 ( 6.720 5.827 1.263) 8.984 12.463 ( -6.606 8.947 -5.987) 12.630 13.307 ( -1.372 -3.348 -3.742) 5.205 13.423 ( 1.688 -5.625 -2.497) 6.381 14.239 ( -0.264 -1.057 0.447) 1.178 16.213 ( 0.032 -1.181 -7.511) 7.604 16.786 ( 2.044 -2.285 6.055) 6.787 17.054 ( -0.952 -13.146 12.655) 18.272 17.844 ( -6.800 3.081 -2.150) 7.769 18.189 ( 7.707 16.039 -13.767) 22.499 18.638 ( -1.856 -1.284 -9.284) 9.554 20.489 ( -0.063 -1.610 1.332) 2.091 22.282 ( 0.009 -0.976 3.891) 4.012 ======================= Grid point 55 (38/91) ======================= q-point: ( 0.08 -0.08 0.08) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.479 ( -34.349 25.395 -0.000) 42.717 0.502 ( -0.144 26.742 -0.000) 26.742 1.020 ( 16.351 53.310 -0.000) 55.761 2.933 ( 0.828 -5.321 0.000) 5.385 3.034 ( 3.111 -5.502 0.000) 6.320 3.075 ( -2.097 -3.870 0.000) 4.402 3.166 ( -3.179 6.767 -0.000) 7.477 3.192 ( 0.895 4.623 -0.000) 4.708 3.403 ( -0.064 4.034 -0.000) 4.034 3.792 ( 1.569 -3.195 0.000) 3.560 4.205 ( -2.030 -11.062 0.000) 11.247 4.342 ( 3.239 0.167 0.000) 3.243 4.427 ( -0.149 -7.071 0.000) 7.072 4.667 ( -0.390 -0.556 0.000) 0.679 4.778 ( -0.846 7.142 -0.000) 7.192 5.452 ( -0.513 -0.059 -0.000) 0.517 6.065 ( -0.125 0.827 -0.000) 0.836 6.289 ( 0.238 1.724 -0.000) 1.740 6.985 ( 0.306 -0.675 0.000) 0.741 7.035 ( -0.572 4.055 -0.000) 4.095 7.208 ( -0.476 -12.232 0.000) 12.241 7.231 ( -0.208 -1.560 0.000) 1.574 8.386 ( -5.419 9.075 -0.000) 10.570 8.432 ( 0.049 -2.826 0.000) 2.827 8.795 ( 1.709 1.909 -0.000) 2.563 8.854 ( -1.568 8.014 -0.000) 8.166 8.871 ( -0.085 1.778 -0.000) 1.780 9.710 ( -2.170 -5.529 0.000) 5.939 9.749 ( -0.036 4.788 -0.000) 4.788 9.785 ( 3.325 -1.050 0.000) 3.486 9.871 ( 0.891 -0.046 0.000) 0.893 11.065 ( -1.948 -14.302 0.000) 14.434 11.158 ( 1.975 -5.048 0.000) 5.421 11.204 ( 1.060 2.578 -0.000) 2.788 11.497 ( 1.166 3.143 -0.000) 3.352 12.173 ( -8.869 -22.220 0.000) 23.925 13.066 ( -0.016 5.320 -0.000) 5.320 13.137 ( -5.626 16.382 -0.000) 17.322 14.128 ( 38.925 -18.153 0.000) 42.950 14.648 ( -0.049 6.715 -0.000) 6.715 14.688 ( -28.019 6.714 -0.000) 28.812 16.907 ( 2.599 -7.543 0.000) 7.978 16.942 ( -2.572 -4.051 0.000) 4.798 17.494 ( 7.669 2.625 0.000) 8.106 18.606 ( -9.222 8.294 -0.000) 12.403 19.476 ( 0.009 3.279 -0.000) 3.279 20.637 ( 4.181 -4.414 0.000) 6.080 22.666 ( -0.013 -0.999 0.000) 0.999 ======================= Grid point 56 (39/91) ======================= q-point: ( 0.08 -0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.639 ( 8.481 16.838 -0.000) 18.854 1.105 ( 11.030 23.043 -0.000) 25.547 2.351 ( 21.712 44.329 -0.000) 49.361 2.711 ( -12.745 -5.036 -0.000) 13.704 2.854 ( -11.861 -6.349 -0.000) 13.454 3.056 ( 6.492 -4.409 0.000) 7.848 3.277 ( -0.124 4.697 -0.000) 4.699 3.302 ( 4.242 5.557 -0.000) 6.991 3.567 ( 10.658 2.572 0.000) 10.964 3.644 ( -5.932 -3.380 -0.000) 6.827 3.961 ( -2.133 -9.473 0.000) 9.710 4.256 ( -2.089 -9.666 0.000) 9.889 4.378 ( -3.629 5.394 -0.000) 6.501 4.733 ( 10.883 -8.857 0.000) 14.032 4.947 ( 4.217 5.981 -0.000) 7.318 5.316 ( -12.859 1.880 -0.000) 12.996 6.095 ( 1.926 0.759 0.000) 2.070 6.287 ( -7.110 3.002 -0.000) 7.718 6.888 ( -3.183 -14.042 0.000) 14.398 6.981 ( 0.002 -0.886 0.000) 0.886 7.086 ( 0.417 1.014 -0.000) 1.096 7.225 ( 3.350 -0.257 0.000) 3.360 8.372 ( -1.201 -1.818 0.000) 2.179 8.640 ( 13.042 5.358 0.000) 14.100 8.941 ( 3.001 3.060 -0.000) 4.286 8.944 ( 7.502 3.811 0.000) 8.415 9.050 ( 2.729 11.335 -0.000) 11.659 9.615 ( 0.802 -4.139 0.000) 4.216 9.680 ( -5.862 -3.832 -0.000) 7.003 9.911 ( 4.905 7.136 -0.000) 8.659 9.969 ( 7.650 1.125 0.000) 7.732 10.571 ( -10.199 -22.559 0.000) 24.757 11.006 ( -5.095 -8.251 0.000) 9.697 11.017 ( -14.491 -5.250 -0.000) 15.413 11.594 ( -2.524 6.997 -0.000) 7.438 11.853 ( 13.843 -24.070 0.000) 27.767 12.969 ( -19.543 5.898 -0.000) 20.414 13.215 ( 3.008 5.795 -0.000) 6.529 14.206 ( -22.629 4.773 -0.000) 23.127 14.753 ( 34.636 -8.966 0.000) 35.778 14.886 ( 6.333 11.916 -0.000) 13.494 16.551 ( -14.688 -12.548 -0.000) 19.318 16.915 ( 5.597 -5.610 0.000) 7.925 17.491 ( -17.391 9.453 -0.000) 19.794 18.765 ( 10.568 6.516 0.000) 12.415 19.568 ( 1.442 3.967 -0.000) 4.221 20.606 ( -0.283 -4.591 0.000) 4.600 22.634 ( -0.256 -1.794 0.000) 1.812 ======================= Grid point 57 (40/91) ======================= q-point: (-0.42 -0.08 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.147 ( -1.704 0.274 -20.546) 20.618 2.219 ( 1.982 -1.316 -18.322) 18.476 2.441 ( -5.907 3.779 10.120) 12.312 2.553 ( 0.786 3.774 7.794) 8.695 2.739 ( -5.731 3.357 1.250) 6.758 2.808 ( 0.080 2.905 5.531) 6.248 3.023 ( -5.884 0.909 4.910) 7.717 3.292 ( -4.738 8.563 5.485) 11.219 3.491 ( 5.009 -4.647 1.627) 7.024 3.795 ( 3.940 -5.555 -6.612) 9.492 4.041 ( 5.999 -2.390 -3.694) 7.440 4.139 ( 3.062 -10.322 -0.057) 10.767 4.333 ( 4.587 0.301 -4.282) 6.282 5.059 ( -11.848 -0.514 2.043) 12.033 5.132 ( 2.404 9.851 -1.586) 10.263 5.482 ( 3.173 -6.583 1.139) 7.396 5.554 ( 5.422 -3.067 -5.483) 8.298 6.448 ( -4.184 4.417 0.340) 6.094 6.778 ( -3.495 1.795 -5.014) 6.370 6.813 ( -0.387 3.219 2.803) 4.286 7.054 ( -3.905 3.886 -0.068) 5.509 7.066 ( 0.894 -2.704 3.401) 4.435 8.072 ( -4.955 5.425 -2.929) 7.910 8.674 ( -0.436 -6.510 -1.688) 6.740 8.867 ( 17.243 -9.795 -6.820) 20.971 9.091 ( 6.063 -5.123 -2.647) 8.367 9.229 ( 11.729 -7.242 1.464) 13.862 9.364 ( 4.541 -9.043 1.737) 10.267 9.651 ( -1.680 -2.933 2.093) 3.976 9.679 ( 3.267 -0.513 -0.660) 3.372 10.562 ( -5.558 1.380 -7.629) 9.539 10.638 ( -6.794 9.000 11.945) 16.427 10.836 ( 1.891 4.043 9.161) 10.191 10.977 ( -4.231 -2.089 5.102) 6.949 11.113 ( 3.413 -0.439 18.235) 18.557 12.399 ( -11.708 10.571 -6.772) 17.166 12.720 ( -0.041 1.367 2.328) 2.700 13.119 ( -1.520 1.858 -10.993) 11.252 13.361 ( 0.961 -1.836 -2.984) 3.632 14.303 ( 8.067 -7.838 1.168) 11.309 16.201 ( 1.159 -1.196 -11.184) 11.307 16.709 ( -1.867 -0.358 9.098) 9.294 16.949 ( 11.078 -9.526 11.874) 18.827 17.822 ( -7.941 11.222 -1.430) 13.822 18.454 ( -8.045 -0.898 -12.515) 14.904 18.590 ( 2.820 3.367 -17.476) 18.019 20.462 ( 1.164 -1.097 2.120) 2.656 22.273 ( 1.012 -1.021 5.942) 6.114 ======================= Grid point 59 (41/91) ======================= q-point: ( 0.08 -0.08 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.212 ( 16.598 15.425 0.000) 22.659 1.731 ( 12.657 18.916 -0.000) 22.760 2.336 ( -17.176 -2.720 -0.000) 17.390 2.400 ( -18.742 -9.621 -0.000) 21.068 3.058 ( 1.080 -0.797 0.000) 1.342 3.341 ( 11.249 16.460 -0.000) 19.936 3.407 ( 3.715 4.156 -0.000) 5.574 3.447 ( 3.612 0.588 0.000) 3.660 3.528 ( -0.921 -0.532 -0.000) 1.064 3.784 ( 4.883 -7.343 0.000) 8.818 3.857 ( 9.623 2.002 0.000) 9.829 4.044 ( -4.202 -4.112 -0.000) 5.879 4.376 ( -8.722 4.495 -0.000) 9.812 4.602 ( 4.200 -14.986 0.000) 15.563 5.117 ( 1.615 5.142 -0.000) 5.389 5.172 ( -9.709 6.062 -0.000) 11.446 6.157 ( 3.141 0.036 0.000) 3.141 6.160 ( -11.052 4.464 -0.000) 11.919 6.648 ( 1.076 -8.135 0.000) 8.206 6.952 ( -0.575 -0.876 0.000) 1.048 7.118 ( 1.970 -0.236 0.000) 1.984 7.312 ( 3.763 0.615 0.000) 3.813 8.325 ( -1.260 -0.571 -0.000) 1.384 8.926 ( 6.812 3.697 0.000) 7.751 9.063 ( 6.234 -1.932 0.000) 6.527 9.198 ( 8.282 5.046 0.000) 9.698 9.293 ( 2.374 5.531 -0.000) 6.019 9.525 ( -3.463 -1.023 -0.000) 3.611 9.624 ( 3.326 0.410 0.000) 3.352 9.984 ( -6.517 -14.878 0.000) 16.243 10.141 ( 5.210 -0.829 0.000) 5.275 10.204 ( 10.266 7.052 0.000) 12.455 10.614 ( 1.987 -16.542 0.000) 16.661 10.670 ( -10.484 -11.100 0.000) 15.268 11.612 ( -4.907 -2.275 -0.000) 5.409 11.764 ( 0.624 5.866 -0.000) 5.899 12.737 ( -10.200 -0.109 -0.000) 10.200 13.344 ( 1.408 2.539 -0.000) 2.903 13.944 ( -12.476 2.278 -0.000) 12.682 15.136 ( 21.825 -7.523 0.000) 23.085 15.308 ( 11.105 14.008 -0.000) 17.876 15.987 ( -17.346 -12.643 -0.000) 21.464 16.924 ( 5.282 -4.500 0.000) 6.939 17.317 ( -18.792 10.224 -0.000) 21.393 19.117 ( 9.902 7.352 0.000) 12.332 19.645 ( 0.169 2.075 -0.000) 2.082 20.457 ( -2.674 -7.122 0.000) 7.608 22.603 ( 0.582 -1.498 0.000) 1.607 ======================= Grid point 60 (42/91) ======================= q-point: ( 0.08 -0.08 -0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.582 ( -16.133 12.231 -0.000) 20.245 1.766 ( -20.991 -11.650 -0.000) 24.007 2.193 ( 6.545 8.075 -0.000) 10.394 2.333 ( 11.599 14.696 -0.000) 18.722 3.046 ( -2.876 -4.900 0.000) 5.682 3.175 ( -10.475 -19.147 0.000) 21.825 3.415 ( -6.913 -3.348 -0.000) 7.681 3.429 ( -0.337 -4.365 0.000) 4.378 3.564 ( -0.125 0.360 -0.000) 0.381 3.798 ( 4.975 -2.157 0.000) 5.422 3.976 ( 7.692 0.820 0.000) 7.736 4.045 ( 9.029 -2.040 0.000) 9.257 4.176 ( -13.431 -1.821 -0.000) 13.553 4.770 ( 14.415 4.673 0.000) 15.153 5.114 ( -8.795 7.814 -0.000) 11.765 5.150 ( -5.176 1.295 -0.000) 5.336 6.139 ( -4.150 8.932 -0.000) 9.849 6.174 ( -0.215 -1.692 0.000) 1.705 6.661 ( 8.332 0.191 0.000) 8.335 6.942 ( 0.827 -0.379 0.000) 0.910 7.136 ( 0.318 -0.254 0.000) 0.407 7.342 ( -0.755 -1.028 0.000) 1.275 8.316 ( 0.584 0.525 0.000) 0.785 8.944 ( -3.192 -2.623 -0.000) 4.132 9.130 ( -4.353 -11.778 0.000) 12.557 9.206 ( 3.610 4.818 -0.000) 6.020 9.330 ( -5.351 -0.244 -0.000) 5.357 9.441 ( -0.921 -6.678 0.000) 6.741 9.643 ( -0.973 -1.669 0.000) 1.932 9.993 ( 5.138 -12.751 0.000) 13.747 10.054 ( 13.998 11.154 0.000) 17.898 10.247 ( -9.987 -9.854 -0.000) 14.030 10.583 ( 13.978 6.419 0.000) 15.382 10.758 ( 12.734 6.136 0.000) 14.135 11.466 ( 0.101 -4.866 0.000) 4.867 12.041 ( -0.929 21.092 -0.000) 21.112 12.612 ( -1.141 0.104 -0.000) 1.146 13.344 ( -2.531 -1.363 -0.000) 2.875 13.782 ( -3.926 -4.036 0.000) 5.631 15.269 ( 8.896 -9.388 0.000) 12.933 15.332 ( -15.233 -10.229 -0.000) 18.349 15.949 ( 13.895 15.120 -0.000) 20.535 16.939 ( 4.479 -3.759 0.000) 5.847 17.223 ( -11.382 10.850 -0.000) 15.725 19.284 ( -8.042 5.430 -0.000) 9.703 19.644 ( -2.079 -0.234 -0.000) 2.092 20.333 ( 7.975 -8.294 0.000) 11.506 22.605 ( 1.481 -0.426 0.000) 1.541 ======================= Grid point 61 (43/91) ======================= q-point: ( 0.58 -0.08 -0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.994 ( -0.940 1.075 0.246) 1.449 2.329 ( 0.662 -5.311 -2.093) 5.747 2.363 ( -0.098 -2.804 0.677) 2.886 2.497 ( 0.909 -1.663 7.710) 7.939 2.606 ( -0.165 -0.740 -4.275) 4.341 2.800 ( 1.972 -5.214 -1.753) 5.844 2.927 ( -4.987 -7.206 3.192) 9.326 3.090 ( 3.064 0.420 -3.429) 4.618 3.591 ( 0.409 7.144 -0.211) 7.158 4.071 ( -3.572 3.504 -3.961) 6.382 4.161 ( 2.249 2.665 0.516) 3.525 4.208 ( -0.869 6.842 2.391) 7.299 4.454 ( 4.289 6.124 0.596) 7.500 4.773 ( -4.815 -1.026 -2.475) 5.510 5.155 ( 2.154 -11.608 4.991) 12.818 5.549 ( -0.805 6.871 -2.509) 7.359 5.692 ( 0.509 0.706 0.862) 1.225 6.352 ( 0.258 -8.646 -0.867) 8.693 6.619 ( 0.659 1.871 0.377) 2.019 6.825 ( 0.268 -6.001 -1.688) 6.240 6.906 ( -1.448 -2.560 3.341) 4.451 7.133 ( -0.177 5.205 -0.936) 5.291 7.969 ( 0.443 -0.807 0.428) 1.016 8.699 ( -2.296 5.595 2.561) 6.568 9.120 ( -0.506 13.930 -2.276) 14.124 9.263 ( 4.846 13.743 -4.595) 15.279 9.510 ( 1.554 -0.146 -1.458) 2.136 9.611 ( 0.974 1.086 2.283) 2.709 9.790 ( -4.446 0.450 3.587) 5.730 10.119 ( 5.399 -4.288 -3.646) 7.799 10.226 ( -9.823 -0.692 3.565) 10.473 10.378 ( -1.323 -1.139 5.610) 5.876 10.654 ( 6.777 -5.468 -7.732) 11.645 10.928 ( -1.521 1.200 7.956) 8.189 11.218 ( 0.767 2.527 -4.687) 5.380 12.136 ( -1.115 -13.164 -8.547) 15.735 12.538 ( 0.841 7.244 13.034) 14.935 13.165 ( 0.368 -18.775 -7.641) 20.273 13.406 ( -0.605 -0.769 -0.556) 1.125 14.513 ( 0.190 21.504 2.460) 21.645 16.241 ( -0.024 1.797 -0.849) 1.988 16.755 ( -1.571 -4.465 3.631) 5.965 17.310 ( -4.879 6.040 -8.429) 11.460 17.455 ( 9.086 -21.743 3.010) 23.757 18.263 ( -4.691 14.437 9.467) 17.890 18.626 ( 1.885 -2.521 -7.306) 7.955 20.490 ( 0.059 -1.357 0.030) 1.359 22.305 ( -0.008 1.221 0.102) 1.225 ======================= Grid point 63 (44/91) ======================= q-point: ( 0.58 -0.08 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 Number of triplets: 292 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.085 ( 4.255 0.898 17.699) 18.225 2.153 ( 1.427 -6.726 -6.424) 9.410 2.346 ( 1.760 -1.387 -0.812) 2.383 2.505 ( -0.640 -0.511 -1.018) 1.307 2.607 ( 2.087 -1.519 1.499) 2.985 2.747 ( 1.697 -3.786 -5.234) 6.679 2.812 ( 8.143 -4.839 -2.590) 9.820 3.137 ( -0.604 -0.653 -0.616) 1.082 3.672 ( -4.303 3.864 -0.236) 5.789 4.048 ( -6.007 8.486 -5.944) 11.976 4.202 ( -2.927 1.174 5.556) 6.388 4.326 ( -2.991 6.346 9.304) 11.653 4.500 ( -10.190 1.993 -3.301) 10.896 4.844 ( 13.215 2.332 -4.797) 14.251 4.961 ( 0.326 -11.034 3.711) 11.646 5.639 ( -2.241 4.212 -3.705) 6.041 5.672 ( -2.795 0.960 4.590) 5.460 6.245 ( 6.070 -6.324 0.523) 8.781 6.681 ( 0.703 -1.246 6.346) 6.506 6.734 ( 1.797 -2.260 -8.066) 8.567 6.886 ( 3.969 -2.381 -0.282) 4.637 7.185 ( -2.633 2.708 -0.113) 3.778 7.964 ( 0.965 -1.315 1.254) 2.058 8.802 ( -3.496 6.154 -0.583) 7.102 9.337 ( -10.929 1.471 7.072) 13.100 9.376 ( -4.057 13.227 -0.812) 13.859 9.488 ( -7.824 0.418 1.647) 8.007 9.649 ( -8.586 5.530 -5.297) 11.505 9.736 ( -0.193 4.695 -0.830) 4.772 9.897 ( -11.909 14.661 4.853) 19.501 10.223 ( 13.903 -9.898 -3.049) 17.337 10.474 ( 4.496 -0.352 -0.349) 4.523 10.671 ( 1.992 -10.821 -7.889) 13.538 10.903 ( 4.833 -3.262 -1.233) 5.960 11.243 ( -4.532 3.852 -4.171) 7.264 12.001 ( 9.804 -8.697 2.955) 13.435 12.690 ( 0.125 -1.383 -8.438) 8.551 12.866 ( 8.835 -8.301 10.713) 16.178 13.405 ( -0.731 1.007 1.020) 1.609 14.764 ( -13.886 13.685 -0.767) 19.511 16.269 ( -2.724 2.702 5.847) 6.994 16.674 ( 1.925 0.094 -8.519) 8.735 17.130 ( 13.199 -13.477 -0.425) 18.869 17.461 ( -5.885 2.570 -0.181) 6.425 18.463 ( 1.865 7.009 2.027) 7.531 18.562 ( -2.330 -4.712 8.615) 10.092 20.469 ( 0.641 -0.701 -1.027) 1.399 22.318 ( -1.152 1.160 -1.803) 2.434 ======================= Grid point 64 (45/91) ======================= q-point: ( 0.08 -0.08 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.118 ( -23.994 -11.117 -0.000) 26.444 1.247 ( -31.467 5.493 -0.000) 31.943 2.064 ( -33.436 -29.753 -0.000) 44.758 2.657 ( 9.351 11.423 -0.000) 14.762 2.771 ( 9.731 9.370 0.000) 13.509 3.109 ( 3.622 -4.476 0.000) 5.757 3.240 ( -4.771 -0.096 -0.000) 4.772 3.331 ( -4.277 -1.395 -0.000) 4.499 3.630 ( 2.794 4.241 -0.000) 5.078 3.639 ( -7.901 -11.023 0.000) 13.562 4.062 ( 5.887 -1.180 0.000) 6.004 4.183 ( 3.073 6.309 -0.000) 7.017 4.233 ( 11.372 2.707 0.000) 11.689 4.805 ( 2.834 -12.254 0.000) 12.577 4.993 ( -8.257 -3.436 -0.000) 8.944 5.308 ( -0.257 14.432 -0.000) 14.435 6.111 ( -1.840 -1.880 0.000) 2.631 6.261 ( -1.195 6.623 -0.000) 6.730 6.915 ( 12.908 3.728 0.000) 13.435 6.964 ( 1.543 -0.061 0.000) 1.544 7.121 ( -2.304 0.187 -0.000) 2.312 7.257 ( -2.155 -3.282 0.000) 3.926 8.363 ( 2.438 1.181 0.000) 2.709 8.777 ( -8.074 -8.127 0.000) 11.456 8.876 ( -2.466 -6.617 0.000) 7.062 8.993 ( -8.517 -7.031 -0.000) 11.044 9.104 ( -11.770 -3.528 -0.000) 12.287 9.555 ( 11.425 1.416 0.000) 11.512 9.677 ( 1.486 3.959 -0.000) 4.229 9.903 ( 2.476 -6.688 0.000) 7.132 9.919 ( -7.884 -5.151 -0.000) 9.417 10.642 ( 19.501 10.944 0.000) 22.362 10.932 ( 11.491 4.372 0.000) 12.295 11.062 ( -2.070 14.630 -0.000) 14.775 11.464 ( 7.377 -4.214 0.000) 8.496 12.219 ( 10.907 -15.103 0.000) 18.630 12.934 ( -8.029 41.652 -0.000) 42.419 13.216 ( -5.831 -2.993 -0.000) 6.555 13.654 ( 10.532 -13.695 0.000) 17.277 14.895 ( -12.616 -6.424 -0.000) 14.157 15.124 ( -1.109 -13.542 0.000) 13.587 16.514 ( 14.601 13.362 0.000) 19.792 16.946 ( 4.117 -4.176 0.000) 5.864 17.305 ( -4.194 12.998 -0.000) 13.658 19.028 ( -17.241 -4.194 -0.000) 17.744 19.567 ( -3.915 -1.445 -0.000) 4.173 20.448 ( 12.082 -2.094 0.000) 12.262 22.636 ( 1.670 0.267 0.000) 1.691 ======================= Grid point 68 (46/91) ======================= q-point: (-0.27 -0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.662 ( -0.159 0.525 -24.735) 24.741 1.742 ( 0.574 -7.165 -23.879) 24.938 2.662 ( 0.381 6.029 6.237) 8.683 2.729 ( 0.275 -0.385 7.910) 7.925 2.901 ( -0.634 7.456 4.299) 8.630 2.986 ( -0.715 2.383 6.822) 7.262 3.176 ( 0.813 -5.931 -21.109) 21.941 3.279 ( -1.056 3.307 6.921) 7.743 3.415 ( 0.568 -9.208 -6.888) 11.513 3.530 ( 0.007 6.112 6.414) 8.859 4.015 ( -1.995 -0.827 2.935) 3.644 4.149 ( 2.671 -11.135 5.729) 12.804 4.251 ( -0.968 3.846 -3.062) 5.010 5.048 ( 0.547 8.156 -3.434) 8.866 5.187 ( 0.692 -1.648 -6.652) 6.888 5.334 ( -0.994 -2.459 -5.607) 6.203 5.479 ( 0.155 -7.936 4.057) 8.914 6.482 ( -0.288 3.759 -1.454) 4.041 6.788 ( 0.782 2.964 2.721) 4.099 6.859 ( -0.985 -3.486 2.889) 4.633 7.130 ( 1.358 4.647 2.749) 5.567 7.159 ( -0.504 0.644 5.503) 5.564 8.152 ( 0.244 6.680 3.892) 7.735 8.507 ( 1.268 -5.393 -4.268) 6.993 8.617 ( -1.478 -14.287 -5.886) 15.523 9.036 ( -2.099 -2.037 2.237) 3.682 9.128 ( 0.964 -10.950 -3.483) 11.531 9.321 ( 0.856 -10.261 1.753) 10.445 9.686 ( -1.038 2.209 2.781) 3.700 9.710 ( 1.175 -0.166 2.251) 2.544 10.300 ( 0.403 0.039 -16.840) 16.845 10.911 ( -1.783 7.560 5.660) 9.610 10.954 ( 1.309 2.764 6.784) 7.442 11.162 ( 0.672 0.926 7.885) 7.967 11.581 ( 0.278 12.181 19.974) 23.397 12.357 ( -6.785 12.306 -12.503) 18.809 12.706 ( 12.347 3.321 5.928) 14.093 13.072 ( -7.990 -18.517 1.825) 20.250 13.266 ( 0.475 -3.614 -4.161) 5.532 14.257 ( 0.963 -0.641 2.778) 3.009 15.818 ( -0.008 -3.076 -21.640) 21.858 16.916 ( 3.745 -1.500 6.749) 7.863 17.050 ( -3.745 -14.632 10.620) 18.463 17.877 ( -6.831 15.545 -11.031) 20.248 18.104 ( 11.487 4.878 -15.720) 20.071 18.391 ( -4.657 -11.734 -0.345) 12.629 20.463 ( -0.043 -0.622 -0.476) 0.785 22.425 ( 0.022 1.179 7.685) 7.775 ======================= Grid point 69 (47/91) ======================= q-point: ( 0.23 -0.10 0.10) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.990 ( -10.056 21.392 7.635) 24.840 1.178 ( -9.015 23.134 13.086) 28.066 2.225 ( 9.773 37.632 21.542) 44.449 2.772 ( -0.739 -3.238 -4.603) 5.676 2.921 ( 1.568 -4.968 -4.520) 6.897 3.005 ( 4.999 -5.408 3.947) 8.355 3.184 ( -0.358 3.476 -3.566) 4.993 3.307 ( -3.424 2.813 -1.024) 4.548 3.619 ( 3.248 -7.222 -3.757) 8.765 3.665 ( -3.725 0.432 9.808) 10.500 3.916 ( -0.530 -5.511 -9.154) 10.699 4.201 ( 0.653 -5.831 -2.953) 6.568 4.387 ( 5.758 -1.131 3.436) 6.800 4.706 ( -4.197 -0.897 6.588) 7.863 4.971 ( -3.366 2.333 2.375) 4.734 5.372 ( 1.445 6.337 -5.514) 8.523 5.957 ( -0.684 2.880 -9.615) 10.061 6.373 ( 1.356 2.096 1.203) 2.772 6.915 ( -1.001 -13.174 -0.984) 13.249 6.938 ( 0.912 -1.716 -3.246) 3.784 7.148 ( -3.667 1.728 0.737) 4.121 7.220 ( -0.080 -1.381 2.074) 2.493 8.414 ( 1.354 3.096 1.922) 3.887 8.612 ( -5.743 6.058 2.235) 8.642 8.688 ( 0.601 2.458 -11.724) 11.994 8.964 ( 1.020 4.878 7.440) 8.955 9.132 ( -2.922 10.660 5.673) 12.424 9.541 ( 1.890 -5.826 -4.823) 7.795 9.691 ( 1.220 0.943 -1.028) 1.853 9.793 ( 3.225 -1.058 -3.537) 4.902 9.982 ( -2.809 6.123 5.860) 8.929 10.705 ( -1.517 -22.123 0.067) 22.175 10.984 ( 1.999 -6.094 -1.651) 6.623 11.287 ( -8.809 -9.047 -1.314) 12.695 11.543 ( 18.941 -16.086 7.632) 25.996 11.825 ( -16.113 0.962 -2.048) 16.271 13.185 ( -5.890 4.066 -3.313) 7.887 13.246 ( -11.855 1.871 -5.173) 13.070 13.765 ( 44.481 2.342 -8.651) 45.375 14.563 ( -20.459 2.939 -10.758) 23.302 15.050 ( -1.521 9.573 16.072) 18.769 16.805 ( -1.439 -11.077 6.966) 13.165 16.959 ( 0.560 -9.859 11.390) 15.075 17.553 ( 10.925 5.965 -2.431) 12.682 18.707 ( -22.783 16.252 -12.764) 30.759 19.156 ( 11.552 22.549 -28.995) 38.505 20.404 ( 3.875 -5.635 -3.879) 7.863 22.596 ( -0.184 -2.665 -3.302) 4.247 ======================= Grid point 70 (48/91) ======================= q-point: ( 0.23 -0.10 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.170 ( -6.017 23.480 9.205) 25.928 1.648 ( 6.612 22.158 8.773) 24.731 2.550 ( -15.126 -1.452 -5.748) 16.246 2.743 ( -7.817 -7.430 0.179) 10.786 2.967 ( 5.293 -1.685 -1.125) 5.668 3.097 ( 7.438 9.355 -3.811) 12.545 3.316 ( 5.587 0.599 -0.025) 5.619 3.330 ( 4.662 8.720 0.613) 9.907 3.532 ( -4.130 1.874 -3.184) 5.542 3.640 ( 5.589 -5.593 0.289) 7.913 3.864 ( 3.222 -0.869 3.321) 4.708 4.135 ( 2.292 -1.161 6.809) 7.277 4.469 ( 5.120 -4.262 0.839) 6.714 4.598 ( -2.793 -4.889 7.063) 9.033 5.001 ( -2.970 5.669 -7.764) 10.062 5.432 ( -6.387 7.327 3.193) 10.231 5.992 ( 1.101 0.768 -8.918) 9.019 6.367 ( -10.103 4.817 -2.111) 11.390 6.671 ( -0.250 -8.551 3.324) 9.178 6.905 ( -1.363 -1.456 -4.993) 5.377 7.107 ( 0.644 -0.930 0.601) 1.282 7.244 ( 3.534 0.231 1.157) 3.725 8.513 ( 0.275 2.385 11.858) 12.099 8.701 ( 1.788 4.275 -6.176) 7.721 8.774 ( 7.858 1.541 -6.722) 10.455 9.146 ( 8.321 3.653 3.718) 9.818 9.277 ( 2.174 4.068 3.186) 5.606 9.511 ( 3.343 -2.700 -2.798) 5.128 9.696 ( -1.696 2.897 6.238) 7.084 9.888 ( 9.648 -2.894 -4.895) 11.199 10.091 ( 3.073 4.387 2.775) 6.032 10.169 ( -5.992 -19.855 3.544) 21.041 10.702 ( -8.636 -25.870 -0.072) 27.274 10.822 ( -3.219 -11.268 1.336) 11.795 11.564 ( 6.137 -8.060 -2.484) 10.431 11.867 ( -5.075 16.027 4.163) 17.318 12.896 ( -13.722 -2.266 -7.650) 15.873 13.327 ( 1.309 4.150 1.119) 4.493 14.102 ( -16.372 2.238 -12.769) 20.883 14.585 ( 29.302 -4.207 -2.716) 29.727 15.307 ( 4.927 13.444 13.896) 19.953 16.385 ( -14.679 -12.756 6.717) 20.575 16.893 ( 9.229 -9.963 9.888) 16.799 17.645 ( -15.564 10.216 -3.573) 18.957 18.782 ( -1.460 14.586 -15.251) 21.153 19.624 ( 8.186 8.993 -4.342) 12.913 20.337 ( 1.551 -9.142 -7.532) 11.946 22.538 ( 0.553 -3.280 -4.438) 5.547 ======================= Grid point 73 (49/91) ======================= q-point: ( 0.23 -0.10 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.629 ( 1.874 23.999 2.196) 24.172 2.098 ( -8.744 4.031 2.805) 10.028 2.252 ( -1.830 9.868 1.435) 10.138 2.358 ( -12.740 -5.459 2.259) 14.043 2.980 ( -0.063 -0.725 -5.600) 5.648 3.211 ( 2.131 -7.468 -8.720) 11.677 3.378 ( 7.515 -0.177 -5.000) 9.029 3.444 ( 0.823 -5.456 1.829) 5.813 3.495 ( -1.436 -3.305 -3.002) 4.690 3.642 ( 2.493 -1.446 -2.524) 3.831 4.022 ( 5.348 1.040 7.984) 9.666 4.095 ( -4.984 -7.678 9.544) 13.225 4.443 ( -6.109 -4.838 5.370) 9.464 4.584 ( 11.796 8.218 7.378) 16.159 5.032 ( -5.562 6.381 -11.343) 14.153 5.437 ( -7.958 6.607 5.294) 11.619 6.028 ( 2.216 -0.826 -9.549) 9.837 6.274 ( -10.439 8.827 -2.596) 13.915 6.585 ( 2.405 -2.518 4.997) 6.090 6.869 ( -0.259 -0.232 -5.773) 5.783 7.134 ( 2.625 -0.389 1.147) 2.891 7.314 ( 2.549 -0.556 -0.634) 2.685 8.508 ( -2.947 0.577 16.595) 16.864 8.766 ( -0.481 1.399 -16.170) 16.237 8.989 ( 9.759 -0.698 -4.626) 10.822 9.198 ( -0.637 -4.829 1.224) 5.022 9.433 ( 5.720 -0.222 5.842) 8.179 9.581 ( -0.191 -2.707 2.096) 3.429 9.642 ( 3.346 -2.218 4.804) 6.260 9.784 ( 1.174 -9.776 -3.354) 10.402 10.052 ( 1.284 -6.902 7.638) 10.374 10.265 ( 18.629 -6.194 -5.083) 20.279 10.388 ( 8.196 4.005 2.529) 9.466 10.514 ( -1.152 -9.460 5.763) 11.137 11.476 ( -1.638 -5.094 -3.542) 6.417 12.134 ( -5.454 20.759 2.170) 21.573 12.638 ( -8.359 -0.402 -5.476) 10.001 13.383 ( -0.726 0.730 0.661) 1.223 13.837 ( -12.903 0.214 -10.259) 16.485 14.934 ( 20.124 -10.394 -3.295) 22.888 15.638 ( -0.890 3.547 10.141) 10.780 15.952 ( -4.646 1.389 10.045) 11.155 16.892 ( 9.124 -8.798 7.305) 14.629 17.510 ( -19.700 13.680 -3.033) 24.175 19.053 ( -1.502 13.839 -19.608) 24.047 19.863 ( 3.594 3.541 11.957) 12.978 20.090 ( -0.800 -15.128 -13.737) 20.450 22.513 ( 2.508 -2.179 -4.841) 5.871 ======================= Grid point 75 (50/91) ======================= q-point: ( 0.23 -0.10 -0.40) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.549 ( -25.360 -3.222 -1.380) 25.601 1.785 ( -18.756 -5.071 4.591) 19.964 2.401 ( 7.665 13.580 2.027) 15.725 2.668 ( 7.203 12.298 4.982) 15.098 2.857 ( -12.915 -7.277 4.779) 15.575 2.993 ( -3.855 -5.120 -4.460) 7.808 3.297 ( -3.492 -4.075 -5.265) 7.518 3.386 ( -0.926 -3.343 -5.212) 6.261 3.463 ( -1.380 1.386 4.387) 4.803 3.679 ( 8.479 -1.955 -3.761) 9.480 3.915 ( 3.634 -5.198 -1.813) 6.597 4.184 ( -5.240 -1.257 2.973) 6.155 4.231 ( 5.065 0.675 10.079) 11.300 4.790 ( 4.297 -5.682 6.991) 9.981 5.066 ( -3.268 3.351 -7.509) 8.848 5.392 ( -8.739 7.714 2.193) 11.861 6.020 ( -0.842 -1.506 -9.121) 9.282 6.322 ( -5.276 10.146 -1.390) 11.519 6.682 ( 10.427 -0.368 1.847) 10.596 6.891 ( 1.314 1.157 -4.213) 4.562 7.176 ( 1.387 0.757 2.517) 2.972 7.282 ( -0.798 -4.568 -1.337) 4.826 8.456 ( -2.477 -0.088 9.775) 10.085 8.736 ( -3.095 -0.010 -11.724) 12.126 8.884 ( -2.947 -10.482 -3.036) 11.304 9.217 ( -8.330 -14.433 5.726) 17.621 9.323 ( 10.185 1.126 -1.186) 10.315 9.398 ( -5.703 -3.088 6.294) 9.038 9.579 ( 1.154 2.426 -4.705) 5.417 9.876 ( -0.398 -5.577 4.326) 7.069 10.126 ( 2.065 -2.811 3.102) 4.668 10.247 ( 14.447 3.618 2.043) 15.033 10.721 ( 13.215 5.479 1.624) 14.398 10.887 ( 26.630 5.523 1.254) 27.226 11.353 ( -2.763 -2.387 -2.925) 4.678 12.154 ( -7.573 -5.988 -3.275) 10.195 12.871 ( 7.616 25.541 -2.100) 26.735 13.328 ( -4.121 -1.239 1.103) 4.442 13.609 ( -12.472 0.563 -8.628) 15.176 14.919 ( 6.962 -18.366 -7.741) 21.112 15.324 ( -13.160 -5.250 12.947) 19.193 16.365 ( 14.654 14.490 10.734) 23.236 16.901 ( 9.226 -8.511 6.082) 13.948 17.468 ( -13.954 15.664 -1.536) 21.034 19.156 ( -12.279 8.917 -16.163) 22.171 19.533 ( -11.606 -18.450 -12.181) 24.970 20.166 ( 11.304 2.366 0.656) 11.568 22.544 ( 3.262 -0.630 -4.245) 5.390 ======================= Grid point 76 (51/91) ======================= q-point: (-0.27 -0.10 0.60) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.732 ( 7.452 -5.009 -15.232) 17.681 2.138 ( 4.959 1.232 -7.401) 8.994 2.366 ( -0.334 -5.565 -1.064) 5.676 2.555 ( 1.241 -3.287 4.409) 5.638 2.641 ( -7.099 -5.396 2.756) 9.333 2.763 ( -0.218 0.391 8.660) 8.671 2.971 ( -1.898 -2.053 16.851) 17.081 3.198 ( 0.026 2.897 5.101) 5.866 3.651 ( 0.239 5.599 -5.387) 7.774 3.956 ( -5.241 0.699 -9.429) 10.810 4.251 ( 13.795 11.363 -7.029) 19.205 4.355 ( 0.599 4.789 1.432) 5.035 4.575 ( -1.649 7.699 -3.146) 8.479 4.693 ( -5.955 -7.417 2.984) 9.969 5.003 ( 2.396 -10.901 0.781) 11.188 5.525 ( 0.549 2.967 -8.494) 9.014 5.741 ( 0.786 1.057 2.491) 2.818 6.154 ( 1.010 -7.527 -1.793) 7.803 6.614 ( 0.538 -1.850 1.252) 2.298 6.790 ( -2.967 0.536 -0.200) 3.022 6.980 ( -0.805 -3.234 10.086) 10.622 7.237 ( 0.098 2.741 2.530) 3.731 8.078 ( 1.477 -0.351 11.075) 11.179 8.895 ( -1.696 6.372 2.802) 7.165 9.167 ( 5.168 6.823 -13.428) 15.924 9.419 ( -2.701 4.286 -2.559) 5.676 9.539 ( 5.911 9.463 -2.222) 11.377 9.661 ( -0.625 7.371 -3.814) 8.322 9.868 ( -3.724 -4.575 -5.842) 8.303 9.931 ( 1.474 1.017 3.926) 4.315 10.182 ( 1.697 3.254 -4.794) 6.038 10.462 ( 5.800 -0.864 -4.921) 7.656 10.529 ( -16.817 -3.125 7.375) 18.627 10.841 ( -3.381 -14.635 -4.249) 15.610 11.286 ( -2.552 7.344 2.302) 8.108 11.989 ( 2.072 -0.795 8.529) 8.814 12.520 ( -2.375 -16.817 -10.137) 19.779 13.024 ( 5.323 0.692 17.007) 17.834 13.404 ( 1.076 0.858 -0.896) 1.642 14.961 ( -1.266 15.948 4.406) 16.594 16.113 ( 6.379 6.418 -14.633) 17.204 16.636 ( -16.218 -12.448 -9.915) 22.722 16.940 ( 10.754 -11.035 4.661) 16.098 17.620 ( -8.374 12.069 -1.172) 14.736 18.144 ( 10.874 -12.918 -3.462) 17.237 19.066 ( 5.139 11.040 27.247) 29.844 20.384 ( -1.631 -1.980 -7.075) 7.525 22.365 ( -1.765 0.858 3.134) 3.698 ======================= Grid point 77 (52/91) ======================= q-point: (-0.27 -0.10 -0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.710 ( 3.556 -7.442 -17.322) 19.186 2.171 ( -0.630 -7.310 -7.402) 10.422 2.305 ( 0.675 1.136 -3.938) 4.154 2.493 ( 2.521 4.108 7.200) 8.664 2.682 ( 7.135 3.054 2.510) 8.157 2.826 ( 3.518 0.643 13.125) 13.603 2.959 ( 0.337 1.189 12.765) 12.824 3.204 ( -1.262 0.751 6.137) 6.310 3.657 ( -4.948 0.038 -4.609) 6.762 3.976 ( 0.344 3.997 -11.673) 12.343 4.272 ( -9.608 -12.918 -3.354) 16.444 4.352 ( -4.597 -0.705 4.025) 6.151 4.581 ( -6.018 5.618 -0.447) 8.245 4.752 ( 6.979 -0.612 -7.006) 9.908 4.880 ( 4.177 0.274 2.583) 4.919 5.548 ( -0.579 -0.703 -7.692) 7.746 5.734 ( -1.858 -0.817 2.335) 3.095 6.165 ( 8.572 -0.808 -1.417) 8.726 6.612 ( 1.836 -0.422 1.703) 2.539 6.805 ( 0.179 3.271 -1.794) 3.735 6.944 ( 0.309 -0.128 10.477) 10.482 7.244 ( -2.058 -0.054 2.483) 3.225 8.069 ( -0.359 -1.289 10.865) 10.947 8.837 ( -10.159 -0.395 0.096) 10.167 9.297 ( 3.515 -3.105 -9.756) 10.824 9.437 ( -8.502 -0.785 -7.513) 11.373 9.524 ( -2.500 -3.688 0.079) 4.457 9.665 ( -8.796 4.777 -4.737) 11.073 9.769 ( -6.917 3.582 3.761) 8.650 9.994 ( 7.168 1.117 -3.689) 8.139 10.163 ( -9.943 -18.431 -4.045) 21.330 10.340 ( -2.915 12.879 0.034) 13.205 10.569 ( 9.584 10.021 -1.732) 13.974 10.817 ( 6.249 2.441 -2.138) 7.041 11.358 ( -0.714 2.805 4.877) 5.671 12.100 ( 10.984 -0.764 12.740) 16.839 12.331 ( -0.842 -0.456 -13.495) 13.529 13.149 ( 11.333 -3.303 17.032) 20.723 13.406 ( -0.572 -1.289 -0.797) 1.620 14.921 ( -19.558 1.332 2.528) 19.766 16.130 ( -5.944 -7.207 -14.891) 17.579 16.557 ( 7.423 11.536 -8.694) 16.241 17.045 ( 20.294 -5.840 5.592) 21.846 17.631 ( -13.736 12.371 -0.366) 18.489 18.053 ( 5.781 -14.448 -5.965) 16.666 19.116 ( -6.109 -5.177 27.490) 28.633 20.385 ( 2.071 1.728 -6.838) 7.351 22.362 ( -1.059 1.765 3.014) 3.650 ======================= Grid point 81 (53/91) ======================= q-point: (-0.13 -0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.122 ( 0.000 0.000 -26.774) 26.774 1.122 ( 0.000 0.000 -26.774) 26.774 2.162 ( 0.000 0.000 -47.874) 47.874 2.867 ( -0.000 -0.000 6.635) 6.635 2.867 ( -0.000 -0.000 6.635) 6.635 3.134 ( 0.000 0.000 -6.399) 6.399 3.150 ( -0.000 -0.000 3.691) 3.691 3.150 ( -0.000 -0.000 3.691) 3.691 3.697 ( -0.000 -0.000 8.256) 8.256 3.768 ( -0.000 -0.000 16.897) 16.897 4.132 ( -0.000 -0.000 7.371) 7.371 4.132 ( -0.000 -0.000 7.371) 7.371 4.228 ( 0.000 0.000 -5.767) 5.767 4.950 ( 0.000 0.000 -11.213) 11.213 4.950 ( 0.000 0.000 -11.213) 11.213 5.145 ( 0.000 0.000 -9.035) 9.035 5.617 ( -0.000 -0.000 13.667) 13.667 6.496 ( 0.000 0.000 -2.051) 2.051 6.889 ( -0.000 -0.000 4.195) 4.195 6.889 ( -0.000 -0.000 4.195) 4.195 7.245 ( -0.000 -0.000 1.897) 1.897 7.254 ( -0.000 -0.000 3.602) 3.602 8.334 ( 0.000 0.000 -3.538) 3.538 8.334 ( 0.000 0.000 -3.538) 3.538 8.400 ( -0.000 -0.000 9.515) 9.515 8.941 ( 0.000 0.000 -4.917) 4.917 8.941 ( 0.000 0.000 -4.917) 4.917 9.421 ( -0.000 -0.000 11.858) 11.858 9.776 ( -0.000 -0.000 3.204) 3.204 9.776 ( -0.000 -0.000 3.204) 3.204 9.901 ( 0.000 0.000 -19.648) 19.648 11.112 ( -0.000 -0.000 4.868) 4.868 11.112 ( -0.000 -0.000 4.868) 4.868 11.313 ( -0.000 -0.000 6.218) 6.218 12.132 ( -0.000 -0.000 16.087) 16.087 12.384 ( 0.000 0.000 -7.699) 7.699 12.792 ( -0.000 -0.000 3.283) 3.283 12.792 ( -0.000 -0.000 3.283) 3.283 13.129 ( 0.000 0.000 -4.729) 4.729 14.322 ( -0.000 -0.000 3.780) 3.780 15.300 ( 0.000 0.000 -23.422) 23.422 17.001 ( -0.000 -0.000 2.702) 2.702 17.001 ( -0.000 -0.000 2.702) 2.702 17.774 ( 0.000 0.000 -15.708) 15.708 17.774 ( 0.000 0.000 -15.708) 15.708 18.344 ( -0.000 -0.000 8.212) 8.212 20.459 ( -0.000 -0.000 0.063) 0.063 22.580 ( -0.000 -0.000 5.197) 5.197 ======================= Grid point 82 (54/91) ======================= q-point: ( 0.37 -0.12 0.12) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.544 ( -4.941 17.296 9.891) 20.528 1.854 ( -3.085 18.847 12.936) 23.066 2.633 ( -8.647 0.863 -8.303) 12.019 2.711 ( 8.716 -8.077 -0.089) 11.883 2.852 ( 2.365 0.792 -2.809) 3.756 2.984 ( 1.279 -2.499 0.009) 2.807 3.107 ( 2.915 -3.620 -6.458) 7.957 3.323 ( 1.507 3.533 0.355) 3.857 3.487 ( 0.218 -5.403 -9.758) 11.157 3.708 ( -4.636 11.595 10.943) 16.604 3.886 ( 5.479 -6.964 8.341) 12.170 4.184 ( 1.019 8.520 -0.726) 8.611 4.405 ( 0.713 -3.859 1.412) 4.171 4.855 ( -2.908 1.050 2.633) 4.061 4.973 ( -4.371 -2.558 5.417) 7.415 5.483 ( 2.215 8.012 -0.835) 8.355 5.813 ( -1.010 1.757 -7.922) 8.177 6.404 ( 1.380 0.693 -1.320) 2.031 6.729 ( 1.326 -3.137 0.865) 3.514 6.830 ( -0.279 -1.749 -2.975) 3.462 7.119 ( -4.908 0.146 -4.065) 6.374 7.217 ( 0.925 -1.872 -1.132) 2.375 8.343 ( -0.606 4.115 -14.706) 15.283 8.647 ( -3.713 4.238 -0.593) 5.666 8.848 ( 5.150 6.208 9.403) 12.389 9.194 ( 3.169 -1.307 -3.789) 5.110 9.271 ( -5.433 0.734 9.589) 11.046 9.526 ( -1.708 -1.408 9.780) 10.027 9.613 ( 6.102 -3.909 -1.994) 7.516 9.860 ( -2.462 11.291 2.371) 11.797 10.171 ( -1.865 -9.698 2.959) 10.309 10.341 ( -1.523 -12.076 5.099) 13.196 10.779 ( 1.162 -18.194 -2.111) 18.353 10.916 ( -6.257 -13.636 2.094) 15.148 11.348 ( 7.956 -5.321 -4.730) 10.677 12.026 ( -1.711 11.547 3.225) 12.110 12.890 ( -7.359 -3.772 -11.496) 14.162 13.344 ( -0.184 3.726 1.322) 3.958 13.729 ( 23.490 7.935 -9.836) 26.674 14.380 ( -14.855 -1.719 -6.719) 16.394 15.627 ( 0.035 10.291 19.191) 21.776 16.766 ( -7.762 -11.982 9.615) 17.213 16.933 ( 8.633 -15.231 7.934) 19.221 17.662 ( 5.359 9.536 -0.739) 10.963 18.682 ( -22.417 19.810 -21.873) 37.059 19.063 ( 16.277 14.124 -16.553) 27.174 20.311 ( 1.264 -5.716 5.770) 8.220 22.431 ( -0.307 -4.884 -5.199) 7.140 ======================= Grid point 83 (55/91) ======================= q-point: ( 0.37 -0.12 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.795 ( -3.665 20.563 10.011) 23.162 2.229 ( 3.120 18.778 8.203) 20.728 2.409 ( -14.440 -3.162 -6.844) 16.290 2.552 ( -5.403 -5.026 -0.566) 7.401 2.876 ( -1.999 -2.004 -4.470) 5.291 3.010 ( -0.948 -1.563 -4.265) 4.640 3.102 ( 7.009 0.154 -8.711) 11.182 3.362 ( 0.311 -6.854 -10.373) 12.436 3.394 ( 6.721 -3.881 0.475) 7.776 3.683 ( -1.950 -4.735 7.990) 9.490 4.039 ( 10.643 0.115 8.720) 13.759 4.295 ( 0.842 -6.893 2.000) 7.226 4.570 ( 8.252 15.971 3.651) 18.344 4.724 ( -9.691 -2.049 8.819) 13.262 4.916 ( -2.406 1.916 -3.725) 4.831 5.593 ( -3.576 5.147 -1.637) 6.478 5.810 ( 0.411 -0.779 -7.717) 7.767 6.358 ( -3.984 1.670 -1.102) 4.459 6.771 ( -3.543 3.703 1.255) 5.276 6.775 ( -6.100 3.738 -1.899) 7.402 7.066 ( 1.103 -0.769 -2.936) 3.229 7.232 ( 3.461 -1.268 -2.212) 4.299 8.415 ( -0.452 3.920 -16.189) 16.663 8.743 ( 5.538 2.004 -2.968) 6.595 9.038 ( -1.757 3.137 22.052) 22.343 9.206 ( 4.005 -3.687 2.607) 6.036 9.282 ( 11.739 -4.384 -1.833) 12.665 9.441 ( 4.936 -5.498 -0.742) 7.426 9.616 ( 3.055 -8.097 -0.985) 8.710 9.879 ( 6.745 -11.422 -0.065) 13.265 10.017 ( -7.135 -16.662 6.446) 19.238 10.127 ( 6.178 9.504 7.902) 13.818 10.484 ( -3.148 -3.702 9.278) 10.474 10.683 ( -0.925 -9.013 5.622) 10.663 11.345 ( 2.771 -5.241 -7.095) 9.246 12.285 ( -3.243 18.469 3.205) 19.024 12.684 ( -11.193 0.412 -8.789) 14.238 13.398 ( 0.141 1.545 0.297) 1.579 13.821 ( -13.665 0.707 -16.295) 21.278 14.456 ( 21.352 -5.221 -2.030) 22.074 15.868 ( 3.334 10.623 15.941) 19.445 16.349 ( -11.079 -9.058 9.807) 17.349 16.872 ( 12.068 -13.977 8.678) 20.403 17.747 ( -12.853 10.331 -4.728) 17.155 18.751 ( -9.357 18.944 -17.203) 27.246 19.525 ( 11.070 2.306 -19.606) 22.633 20.186 ( -2.182 -5.412 9.413) 11.075 22.349 ( 2.173 -4.709 -5.399) 7.486 ======================= Grid point 85 (56/91) ======================= q-point: (-0.13 -0.12 0.46) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 Number of triplets: 292 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.263 ( 9.195 1.636 -15.109) 17.763 1.776 ( 12.973 10.469 -11.503) 20.253 2.357 ( -7.699 -9.779 -0.644) 12.463 2.741 ( -8.870 -8.338 0.885) 12.206 2.842 ( -5.372 -1.440 7.161) 9.067 3.039 ( 2.433 5.311 4.117) 7.147 3.181 ( 1.099 1.858 8.493) 8.763 3.358 ( 6.463 9.255 -1.178) 11.349 3.486 ( -1.521 0.991 2.154) 2.817 3.662 ( 6.339 1.771 -7.407) 9.909 4.047 ( 1.185 5.283 -2.899) 6.141 4.270 ( 3.118 4.533 -4.160) 6.898 4.517 ( -0.768 3.596 -3.658) 5.187 4.793 ( -0.659 -8.711 0.087) 8.736 4.971 ( 0.733 -6.178 -0.378) 6.233 5.334 ( 0.192 5.068 -7.089) 8.716 5.809 ( 2.880 1.635 7.938) 8.602 6.175 ( -6.709 -5.017 -1.164) 8.457 6.744 ( -2.791 -2.091 7.117) 7.925 6.838 ( -3.415 -4.237 -0.830) 5.505 7.140 ( 1.382 -2.344 4.108) 4.928 7.273 ( 1.870 1.778 1.961) 3.241 8.325 ( 2.721 2.137 15.327) 15.712 8.736 ( 4.822 3.883 -9.058) 10.972 8.976 ( 2.877 5.967 -4.024) 7.751 9.278 ( 10.242 4.286 -3.950) 11.784 9.469 ( 0.748 0.904 -3.266) 3.470 9.539 ( 1.648 6.882 -1.696) 7.277 9.636 ( 5.516 8.594 -7.005) 12.384 9.880 ( 5.933 4.659 4.692) 8.884 10.169 ( 7.215 -2.521 -0.643) 7.670 10.361 ( -12.493 -8.774 -3.796) 15.731 10.881 ( -8.683 -8.441 -2.436) 12.353 10.912 ( -8.338 -15.728 1.741) 17.886 11.453 ( -6.046 3.854 4.523) 8.478 12.191 ( -4.171 -4.520 -3.636) 7.145 12.404 ( -1.735 -10.869 6.412) 12.738 13.333 ( 2.596 3.188 -1.741) 4.465 13.404 ( -8.456 7.258 16.316) 19.759 14.957 ( 16.046 8.271 7.959) 19.729 15.601 ( 7.584 7.584 -19.527) 22.279 16.630 ( -9.504 -17.256 -12.739) 23.461 17.075 ( -13.529 1.300 4.617) 14.354 17.441 ( -1.968 -0.726 -19.902) 20.012 18.236 ( 12.520 -0.204 27.112) 29.864 19.364 ( 15.033 19.721 18.201) 30.760 20.319 ( -5.837 -3.895 -3.570) 7.873 22.484 ( -1.199 -1.570 4.842) 5.230 ======================= Grid point 86 (57/91) ======================= q-point: ( 0.37 -0.12 -0.54) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.966 ( -19.648 -0.086 -0.117) 19.648 2.139 ( -6.226 7.162 6.340) 11.413 2.402 ( -1.061 4.647 5.118) 6.994 2.646 ( 5.442 13.309 1.782) 14.488 2.821 ( -2.827 0.620 -7.003) 7.577 2.880 ( -0.642 -5.318 -7.617) 9.312 3.216 ( -1.695 -7.748 -4.096) 8.926 3.287 ( 5.537 1.476 -10.125) 11.634 3.394 ( 4.191 -3.912 -0.702) 5.776 3.671 ( 7.626 -0.046 5.510) 9.408 4.033 ( -5.769 -9.089 8.830) 13.923 4.277 ( 8.212 -0.536 6.872) 10.722 4.437 ( -13.459 -2.797 2.169) 13.917 4.901 ( -2.456 2.501 -8.381) 9.085 4.939 ( 5.330 3.258 11.339) 12.946 5.566 ( -6.981 3.718 -2.315) 8.241 5.820 ( 1.785 -0.542 -7.797) 8.018 6.359 ( -2.933 4.714 -1.430) 5.733 6.728 ( -7.197 4.190 4.740) 9.582 6.774 ( -0.194 3.131 -4.517) 5.499 7.126 ( 3.470 1.419 -3.259) 4.968 7.230 ( 0.823 -4.304 -3.205) 5.429 8.432 ( -3.382 0.691 -15.756) 16.130 8.812 ( 1.646 -4.905 -4.475) 6.841 8.911 ( -6.195 -1.411 15.048) 16.335 9.162 ( 3.798 -6.430 0.264) 7.473 9.380 ( 5.302 -7.676 2.121) 9.567 9.495 ( 3.087 -1.119 -1.230) 3.506 9.608 ( -0.171 -11.337 13.883) 17.925 9.742 ( 19.445 4.062 -0.804) 19.881 10.039 ( 7.014 -2.508 -2.301) 7.796 10.252 ( 4.606 -2.506 9.892) 11.196 10.500 ( 4.147 2.003 5.052) 6.836 10.669 ( 10.522 2.029 10.868) 15.263 11.284 ( -0.464 -2.284 -7.814) 8.154 12.315 ( -15.934 1.943 -3.816) 16.500 12.726 ( 2.637 13.277 -1.600) 13.630 13.399 ( -1.492 -0.002 0.461) 1.561 13.621 ( -12.483 6.900 -14.152) 20.093 14.591 ( 12.155 -15.833 -5.339) 20.662 15.861 ( -10.615 -3.210 14.782) 18.480 16.371 ( 10.616 11.683 12.340) 20.037 16.841 ( 11.179 -12.438 6.536) 17.955 17.698 ( -13.485 11.976 -2.684) 18.234 18.940 ( -9.351 17.957 -20.103) 28.531 19.389 ( -7.577 -19.124 -19.559) 28.385 20.173 ( 3.982 2.260 11.383) 12.269 22.354 ( 5.004 -2.152 -5.461) 7.714 ======================= Grid point 88 (58/91) ======================= q-point: (-0.13 -0.12 -0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.416 ( 0.000 0.000 -6.782) 6.782 2.027 ( 0.000 0.000 -5.036) 5.036 2.306 ( 0.000 0.000 -3.085) 3.085 2.347 ( -0.000 -0.000 -7.097) 7.097 2.790 ( 0.000 0.000 10.071) 10.071 3.071 ( 0.000 0.000 13.586) 13.586 3.307 ( -0.000 -0.000 15.705) 15.705 3.332 ( 0.000 0.000 4.955) 4.955 3.606 ( 0.000 -0.000 -4.328) 4.328 3.733 ( 0.000 0.000 -10.852) 10.852 4.266 ( -0.000 0.000 -7.256) 7.256 4.418 ( -0.000 -0.000 -4.600) 4.600 4.450 ( 0.000 0.000 -5.992) 5.992 4.640 ( 0.000 0.000 -2.183) 2.183 4.890 ( 0.000 0.000 -0.060) 0.060 5.394 ( 0.000 0.000 -5.248) 5.248 5.852 ( 0.000 0.000 7.809) 7.809 6.045 ( 0.000 0.000 -0.935) 0.935 6.703 ( 0.000 -0.000 7.958) 7.958 6.752 ( 0.000 0.000 -3.011) 3.011 7.132 ( 0.000 0.000 5.149) 5.149 7.313 ( 0.000 0.000 2.187) 2.187 8.386 ( 0.000 0.000 17.144) 17.144 8.847 ( 0.000 0.000 -20.066) 20.066 9.021 ( 0.000 0.000 4.519) 4.519 9.346 ( 0.000 0.000 -6.643) 6.643 9.589 ( 0.000 0.000 0.850) 0.850 9.677 ( 0.000 0.000 -6.464) 6.464 9.786 ( 0.000 0.000 -7.056) 7.056 9.884 ( -0.000 0.000 1.610) 1.610 10.233 ( 0.000 0.000 -5.715) 5.715 10.393 ( 0.000 0.000 2.672) 2.672 10.544 ( -0.000 -0.000 -5.275) 5.275 10.596 ( 0.000 -0.000 4.493) 4.493 11.440 ( 0.000 0.000 3.992) 3.992 12.047 ( 0.000 0.000 -12.181) 12.181 12.307 ( 0.000 -0.000 14.360) 14.360 13.390 ( 0.000 -0.000 -1.188) 1.188 13.398 ( -0.000 0.000 16.334) 16.334 15.213 ( 0.000 0.000 4.719) 4.719 15.904 ( -0.000 0.000 -16.072) 16.072 16.167 ( 0.000 0.000 -13.902) 13.902 16.977 ( 0.000 0.000 5.897) 5.897 17.409 ( 0.000 0.000 -20.211) 20.211 18.348 ( 0.000 0.000 26.723) 26.723 19.780 ( 0.000 0.000 26.548) 26.548 20.144 ( 0.000 0.000 -12.550) 12.550 22.456 ( 0.000 0.000 4.790) 4.790 ======================= Grid point 95 (59/91) ======================= q-point: ( 0.52 -0.15 0.15) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.038 ( 0.252 14.800 8.468) 17.053 2.380 ( 0.559 11.083 7.798) 13.564 2.447 ( -5.555 -0.350 -7.243) 9.135 2.516 ( 1.088 -5.012 -3.271) 6.083 2.769 ( 3.104 -1.166 -11.064) 11.550 2.873 ( -1.153 -0.716 -2.529) 2.870 3.084 ( -3.837 6.797 -1.596) 7.967 3.112 ( 4.589 -4.655 -3.818) 7.570 3.377 ( 0.003 -4.347 6.339) 7.686 3.853 ( 2.889 -7.129 6.177) 9.865 4.065 ( -0.358 -3.132 4.311) 5.340 4.264 ( -1.294 -3.776 -5.325) 6.655 4.427 ( 0.009 8.943 -2.763) 9.360 4.850 ( 3.601 4.547 0.562) 5.828 5.153 ( -6.352 -1.723 10.334) 12.252 5.519 ( 2.648 1.396 -5.550) 6.306 5.690 ( -0.704 -2.682 -3.454) 4.429 6.396 ( 0.027 1.565 1.174) 1.957 6.754 ( 0.656 4.718 -3.153) 5.713 6.875 ( -1.095 4.714 4.249) 6.440 7.006 ( 0.120 1.443 -7.159) 7.304 7.105 ( 0.323 -2.799 -3.512) 4.503 8.151 ( -0.878 5.315 -10.417) 11.727 8.683 ( -0.837 1.158 -1.288) 1.923 9.001 ( 3.252 0.701 -2.760) 4.323 9.050 ( 0.257 -6.565 -0.312) 6.578 9.410 ( -1.172 -6.986 4.039) 8.155 9.479 ( -1.438 -9.802 1.217) 9.982 9.683 ( -0.636 -8.502 1.878) 8.730 9.851 ( -0.274 -16.448 1.086) 16.487 10.175 ( 4.622 6.190 17.428) 19.063 10.362 ( -4.388 5.547 8.060) 10.722 10.716 ( 4.604 0.870 8.384) 9.604 10.824 ( -8.371 -6.385 4.481) 11.442 11.127 ( 4.213 -5.377 -5.700) 8.897 12.336 ( 4.837 14.605 2.208) 15.543 12.672 ( -7.846 3.064 -9.000) 12.326 13.389 ( -0.455 1.013 -1.756) 2.078 13.561 ( 8.583 -1.544 -12.111) 14.924 14.251 ( -4.735 -2.551 -1.596) 5.610 16.143 ( 0.788 6.548 12.072) 13.756 16.728 ( -8.387 -8.470 3.102) 12.317 16.801 ( 8.490 -13.833 10.036) 19.083 17.815 ( 0.568 4.575 1.295) 4.789 18.578 ( -7.739 18.888 -21.461) 29.618 18.917 ( 6.890 5.575 -15.737) 18.061 20.395 ( -0.079 -2.788 7.533) 8.032 22.252 ( -0.112 -4.652 -1.294) 4.829 ======================= Grid point 96 (60/91) ======================= q-point: (-0.48 -0.15 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.291 ( -11.374 0.586 3.607) 11.946 2.329 ( 1.775 11.490 9.137) 14.787 2.461 ( -1.678 0.770 -8.147) 8.353 2.514 ( -0.272 0.549 -6.638) 6.667 2.767 ( -4.403 2.028 -2.639) 5.519 2.861 ( 2.965 5.067 -7.806) 9.767 2.979 ( -5.151 -4.832 -3.737) 7.990 3.193 ( -1.008 5.192 2.981) 6.071 3.393 ( 6.155 -5.949 6.632) 10.828 3.735 ( -0.706 -2.653 6.803) 7.336 4.102 ( 5.216 -7.844 2.372) 9.714 4.161 ( 8.169 -3.976 -1.592) 9.224 4.531 ( -0.713 1.011 -14.044) 14.099 4.953 ( -11.344 1.525 7.258) 13.553 5.091 ( 4.876 6.582 7.558) 11.145 5.528 ( -0.604 -2.128 -6.049) 6.441 5.650 ( 3.468 -2.510 -4.796) 6.429 6.432 ( -4.383 4.549 0.857) 6.375 6.765 ( -4.010 3.267 0.419) 5.189 6.928 ( 0.027 5.029 -6.304) 8.064 7.005 ( -5.414 -0.489 1.699) 5.695 7.117 ( 1.560 -0.238 -4.720) 4.977 8.214 ( -4.378 5.276 -10.443) 12.492 8.707 ( 0.646 -1.846 -1.858) 2.698 8.997 ( 14.086 -11.611 -5.325) 19.016 9.138 ( -0.225 -14.066 0.295) 14.071 9.222 ( 16.867 -0.231 -2.929) 17.121 9.296 ( 2.996 -5.150 4.829) 7.669 9.613 ( -1.232 -3.629 1.669) 4.180 9.686 ( 6.354 -2.685 0.706) 6.934 10.224 ( -5.795 2.610 25.605) 26.382 10.552 ( 4.353 8.302 13.272) 16.248 10.573 ( -7.377 -2.997 5.263) 9.545 10.802 ( 5.293 -2.065 12.433) 13.670 11.076 ( 1.133 -3.891 -9.736) 10.546 12.525 ( -14.359 6.042 -4.837) 16.312 12.684 ( 1.556 9.575 0.138) 9.701 13.393 ( -0.492 1.271 -3.865) 4.098 13.464 ( -5.800 -0.620 -16.200) 17.219 14.298 ( 10.396 -7.722 -0.627) 12.966 16.246 ( -2.829 1.406 6.648) 7.360 16.499 ( 0.562 1.715 10.955) 11.102 16.763 ( 10.251 -11.681 6.300) 16.770 17.830 ( -6.267 6.207 -1.718) 8.987 18.741 ( -9.017 14.174 -16.030) 23.220 19.034 ( -1.100 -3.958 -21.708) 22.094 20.354 ( 1.214 -1.077 8.422) 8.577 22.203 ( 3.099 -3.022 0.150) 4.331 ======================= Grid point 103 (61/91) ======================= q-point: ( 0.52 -0.15 -0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.654 ( 0.571 1.168 21.056) 21.096 2.024 ( -6.354 6.377 11.909) 14.929 2.402 ( 8.166 -3.216 3.214) 9.347 2.562 ( 2.060 -2.790 -11.722) 12.225 2.800 ( 8.507 -6.509 -0.948) 10.753 2.812 ( -1.107 -6.622 -13.465) 15.046 2.986 ( 1.642 1.371 -10.335) 10.554 3.218 ( 0.804 -3.487 -7.121) 7.970 3.613 ( -4.660 3.826 6.115) 8.588 3.934 ( -10.560 11.422 14.792) 21.466 4.090 ( -2.316 -0.970 2.997) 3.910 4.295 ( -5.401 4.969 -2.427) 7.730 4.540 ( -6.702 5.626 -0.495) 8.765 4.833 ( 6.651 -6.620 2.993) 9.850 4.964 ( 7.180 -0.408 -1.519) 7.350 5.513 ( -3.177 1.023 9.535) 10.102 5.699 ( -2.556 3.388 -3.072) 5.240 6.213 ( 5.447 -6.789 2.142) 8.963 6.632 ( 2.353 -2.194 -2.279) 3.942 6.850 ( 0.986 -3.004 -0.508) 3.203 6.986 ( 4.703 0.205 -9.464) 10.571 7.220 ( -2.375 1.648 -2.682) 3.943 8.053 ( -0.412 0.871 -9.442) 9.491 8.815 ( -1.312 9.151 0.074) 9.245 9.148 ( -13.443 -2.258 10.117) 16.976 9.337 ( -8.502 13.966 2.931) 16.611 9.488 ( -1.892 -2.516 -0.456) 3.181 9.645 ( -7.275 0.741 6.150) 9.555 9.774 ( -5.856 11.443 -3.800) 13.404 9.795 ( -5.713 11.142 5.152) 13.540 10.202 ( 11.977 -1.815 2.579) 12.385 10.445 ( 2.295 -7.746 3.457) 8.787 10.818 ( 9.122 -10.352 -6.192) 15.123 10.922 ( 11.041 -3.643 0.254) 11.630 11.346 ( -3.275 -3.563 -5.176) 7.086 12.069 ( -2.155 -10.184 -8.602) 13.503 12.520 ( 19.135 3.935 12.189) 23.026 13.053 ( -6.995 -9.396 -16.188) 19.982 13.375 ( -1.797 1.956 1.822) 3.221 14.821 ( -11.540 15.189 -4.716) 19.650 16.002 ( -5.679 5.072 17.603) 19.179 16.796 ( 10.779 3.184 -0.494) 11.251 17.043 ( 7.905 -24.936 4.472) 26.539 17.687 ( -13.326 3.910 -16.650) 21.681 17.960 ( 10.846 6.517 21.961) 25.346 18.936 ( -13.350 8.374 -21.516) 26.670 20.423 ( 2.033 -2.237 4.700) 5.588 22.386 ( 0.744 -0.537 -4.297) 4.394 ======================= Grid point 106 (62/91) ======================= q-point: ( 0.17 -0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.950 ( -30.647 24.754 -0.000) 39.396 1.003 ( -0.532 26.599 -0.000) 26.605 1.976 ( 15.736 47.592 -0.000) 50.127 2.845 ( 5.226 -3.883 0.000) 6.511 2.922 ( 5.069 -6.055 0.000) 7.897 2.979 ( -5.392 -5.681 0.000) 7.833 3.268 ( 1.417 3.383 -0.000) 3.668 3.308 ( -3.196 6.873 -0.000) 7.580 3.469 ( -2.571 2.062 -0.000) 3.295 3.713 ( 1.734 -4.814 0.000) 5.117 4.007 ( -2.885 -8.417 0.000) 8.897 4.247 ( 0.335 -11.728 0.000) 11.732 4.340 ( 7.076 -0.521 0.000) 7.095 4.636 ( -2.730 -2.803 0.000) 3.913 4.931 ( -2.319 9.638 -0.000) 9.913 5.456 ( -0.059 0.652 -0.000) 0.655 6.084 ( -0.676 1.071 -0.000) 1.267 6.350 ( 1.349 5.008 -0.000) 5.186 6.933 ( -1.422 -15.968 0.000) 16.031 6.967 ( 0.625 -1.115 0.000) 1.278 7.115 ( -1.702 3.917 -0.000) 4.270 7.196 ( -1.304 -2.009 0.000) 2.395 8.379 ( 0.389 -2.442 0.000) 2.472 8.569 ( -7.571 9.469 -0.000) 12.123 8.836 ( 2.473 2.261 0.000) 3.351 8.921 ( -0.759 3.579 -0.000) 3.659 9.050 ( -1.921 12.156 -0.000) 12.307 9.589 ( 1.850 -7.008 0.000) 7.248 9.750 ( 0.379 -2.738 0.000) 2.765 9.843 ( 2.653 -2.862 0.000) 3.903 9.867 ( -0.243 7.314 -0.000) 7.318 10.705 ( -3.265 -22.983 0.000) 23.214 11.018 ( 3.373 -9.684 0.000) 10.255 11.273 ( -6.123 1.721 -0.000) 6.360 11.447 ( 13.197 -13.381 0.000) 18.794 11.861 ( -16.135 -3.234 -0.000) 16.456 13.185 ( -0.049 6.689 -0.000) 6.689 13.339 ( -18.606 0.554 -0.000) 18.615 13.864 ( 50.251 -4.913 0.000) 50.491 14.742 ( -24.890 -0.860 -0.000) 24.905 14.830 ( -0.317 12.394 -0.000) 12.398 16.718 ( 4.679 -12.007 0.000) 12.887 16.833 ( -4.462 -7.444 0.000) 8.679 17.580 ( 10.419 6.811 0.000) 12.448 18.816 ( -14.689 13.470 -0.000) 19.930 19.554 ( 0.040 4.652 -0.000) 4.652 20.513 ( 7.825 -8.732 0.000) 11.725 22.637 ( -0.077 -2.112 0.000) 2.114 ======================= Grid point 107 (63/91) ======================= q-point: (-0.33 -0.17 0.17) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.146 ( 0.442 2.358 -20.815) 20.953 2.202 ( -0.246 -4.114 -18.658) 19.108 2.508 ( 2.850 5.691 10.629) 12.389 2.557 ( -3.648 1.918 4.619) 6.190 2.795 ( 1.741 4.928 6.810) 8.584 2.828 ( -2.075 1.768 1.422) 3.075 3.056 ( 2.002 1.088 7.408) 7.751 3.384 ( -4.763 7.085 4.978) 9.882 3.407 ( 3.113 -2.699 2.601) 4.873 3.765 ( 0.544 -5.522 -12.180) 13.384 3.996 ( -2.594 -3.222 -2.009) 4.598 4.057 ( 3.766 -7.742 1.573) 8.751 4.313 ( -1.447 -1.523 -4.504) 4.970 5.075 ( 2.197 10.827 0.385) 11.055 5.250 ( -3.753 -1.953 1.734) 4.572 5.383 ( 2.686 -2.603 -2.783) 4.662 5.518 ( -0.800 -7.273 -4.377) 8.526 6.495 ( -0.070 4.293 0.380) 4.310 6.789 ( 0.576 3.874 -2.418) 4.603 6.853 ( -1.082 -2.223 -2.566) 3.563 7.024 ( 0.206 -0.801 5.029) 5.096 7.110 ( 0.523 5.774 -0.040) 5.797 8.142 ( -0.156 8.347 -2.999) 8.871 8.603 ( 2.616 -3.234 -4.529) 6.150 8.745 ( -2.358 -15.301 -5.854) 16.551 8.996 ( -0.988 1.705 0.714) 2.096 9.171 ( -1.083 -13.526 -0.760) 13.590 9.300 ( 1.522 -11.996 1.117) 12.143 9.637 ( 0.992 0.794 1.930) 2.310 9.673 ( -0.566 -3.142 1.223) 3.419 10.591 ( 0.972 5.341 -6.977) 8.841 10.756 ( 1.324 5.136 11.987) 13.108 10.804 ( -3.837 1.465 3.282) 5.258 10.977 ( 2.588 3.270 11.027) 11.789 11.106 ( -1.224 -2.525 21.394) 21.577 12.577 ( 1.770 10.478 -6.447) 12.430 12.645 ( -1.863 8.686 -0.915) 8.931 13.160 ( -0.195 -11.638 -10.875) 15.930 13.347 ( 0.401 -1.959 -3.420) 3.962 14.214 ( -0.088 -1.336 1.430) 1.959 16.189 ( 0.013 -1.083 -12.289) 12.337 16.743 ( 1.995 -1.936 8.987) 9.407 16.821 ( -1.824 -9.868 11.190) 15.031 17.922 ( -1.143 4.003 3.407) 5.379 18.471 ( 3.124 12.149 -19.234) 22.964 18.609 ( -2.103 -1.495 -17.189) 17.382 20.450 ( -0.023 -2.180 2.318) 3.182 22.262 ( 0.003 -0.931 7.010) 7.072 ======================= Grid point 109 (64/91) ======================= q-point: ( 0.17 -0.17 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.071 ( -5.664 26.556 -0.000) 27.153 1.547 ( 6.457 23.723 -0.000) 24.587 2.634 ( -13.324 -2.728 -0.000) 13.601 2.728 ( -14.261 -6.816 -0.000) 15.806 2.979 ( 8.068 -2.867 0.000) 8.562 3.082 ( 14.583 28.897 -0.000) 32.368 3.352 ( 1.895 2.958 -0.000) 3.513 3.369 ( 3.664 -0.050 0.000) 3.664 3.542 ( 12.054 -5.240 0.000) 13.144 3.588 ( -4.833 -0.812 -0.000) 4.901 3.871 ( -3.512 1.124 -0.000) 3.687 4.059 ( 2.908 -9.834 0.000) 10.254 4.437 ( 2.520 -0.004 0.000) 2.520 4.531 ( 2.020 -11.283 0.000) 11.462 5.112 ( -1.569 12.012 -0.000) 12.114 5.378 ( -10.352 4.150 -0.000) 11.153 6.103 ( 1.834 0.002 0.000) 1.834 6.395 ( -11.411 8.569 -0.000) 14.271 6.631 ( 0.320 -12.536 0.000) 12.540 6.960 ( 0.147 -1.276 0.000) 1.284 7.091 ( -0.419 -0.433 0.000) 0.602 7.226 ( 4.768 0.275 0.000) 4.776 8.347 ( -0.793 -0.844 0.000) 1.158 8.743 ( 8.497 5.443 0.000) 10.091 8.998 ( 1.498 2.793 -0.000) 3.170 9.008 ( 10.183 3.127 0.000) 10.652 9.264 ( 0.488 9.845 -0.000) 9.858 9.547 ( 3.751 -2.874 0.000) 4.725 9.610 ( -4.083 -3.718 -0.000) 5.523 9.949 ( 12.104 -2.972 0.000) 12.464 10.044 ( 3.941 5.589 -0.000) 6.839 10.139 ( -6.405 -20.812 0.000) 21.776 10.703 ( -9.051 -27.762 0.000) 29.201 10.806 ( -3.585 -12.799 0.000) 13.292 11.583 ( 7.693 -6.196 0.000) 9.878 11.830 ( -7.874 17.860 -0.000) 19.519 12.978 ( -13.747 -3.765 -0.000) 14.253 13.314 ( 1.426 4.528 -0.000) 4.747 14.251 ( -17.900 0.428 -0.000) 17.905 14.618 ( 30.838 -5.445 0.000) 31.315 15.146 ( 5.674 15.415 -0.000) 16.426 16.310 ( -16.059 -12.666 -0.000) 20.452 16.783 ( 9.313 -8.192 0.000) 12.403 17.684 ( -15.657 10.869 -0.000) 19.059 18.954 ( 3.575 13.307 -0.000) 13.779 19.641 ( 0.214 3.584 -0.000) 3.591 20.459 ( 3.768 -10.987 0.000) 11.615 22.590 ( 0.610 -2.822 0.000) 2.888 ======================= Grid point 110 (65/91) ======================= q-point: ( 0.17 -0.17 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.611 ( 6.304 24.765 -0.000) 25.555 2.050 ( -0.310 10.464 -0.000) 10.469 2.270 ( -13.444 0.389 -0.000) 13.450 2.315 ( -14.366 -1.039 -0.000) 14.403 3.041 ( 2.142 -0.742 0.000) 2.267 3.300 ( -2.832 -11.763 0.000) 12.099 3.394 ( 4.015 -5.056 0.000) 6.456 3.482 ( 2.973 4.330 -0.000) 5.252 3.568 ( -0.781 -1.122 0.000) 1.367 3.637 ( 11.674 -8.825 0.000) 14.634 3.938 ( 1.593 6.458 -0.000) 6.652 3.969 ( -7.253 -6.171 -0.000) 9.523 4.369 ( -5.700 -4.919 -0.000) 7.529 4.504 ( 13.495 3.645 0.000) 13.979 5.253 ( -5.991 8.682 -0.000) 10.548 5.287 ( -9.752 7.062 -0.000) 12.041 6.145 ( 2.976 -1.234 0.000) 3.222 6.314 ( -13.884 11.250 -0.000) 17.870 6.520 ( 6.004 -5.028 0.000) 7.831 6.934 ( 0.030 -0.934 0.000) 0.935 7.110 ( 2.170 -0.551 0.000) 2.239 7.319 ( 3.152 -0.096 0.000) 3.153 8.320 ( -0.922 0.147 -0.000) 0.934 8.988 ( 0.424 1.255 -0.000) 1.325 9.038 ( 8.682 1.208 0.000) 8.765 9.193 ( -0.789 -8.433 0.000) 8.470 9.337 ( 4.356 2.111 0.000) 4.841 9.496 ( -2.776 -3.017 0.000) 4.100 9.630 ( 3.665 -0.179 0.000) 3.669 9.851 ( 5.332 0.696 0.000) 5.377 9.945 ( -0.770 -19.489 0.000) 19.504 10.326 ( 9.774 5.011 0.000) 10.984 10.362 ( 24.477 -6.993 0.000) 25.456 10.442 ( -6.816 -11.528 0.000) 13.392 11.513 ( -2.098 -4.662 0.000) 5.112 12.111 ( -5.885 23.418 -0.000) 24.146 12.698 ( -8.045 -2.404 -0.000) 8.397 13.375 ( -0.801 0.835 -0.000) 1.157 13.951 ( -12.753 -1.006 -0.000) 12.793 14.972 ( 20.798 -9.784 0.000) 22.985 15.526 ( -0.110 5.063 -0.000) 5.064 15.837 ( -7.076 0.726 -0.000) 7.113 16.812 ( 8.859 -7.291 0.000) 11.473 17.544 ( -20.431 13.400 -0.000) 24.434 19.318 ( 3.625 13.442 -0.000) 13.923 19.678 ( -1.453 1.390 -0.000) 2.011 20.245 ( 1.901 -14.939 0.000) 15.060 22.570 ( 2.179 -1.995 0.000) 2.954 ======================= Grid point 113 (66/91) ======================= q-point: ( 0.67 -0.17 -0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.027 ( -1.091 2.241 2.023) 3.211 2.155 ( 1.325 -9.472 -4.643) 10.632 2.324 ( -0.291 -2.160 3.256) 3.919 2.507 ( 0.346 1.985 4.943) 5.337 2.592 ( -0.074 -0.346 -4.639) 4.652 2.706 ( 0.264 -4.458 3.526) 5.690 2.757 ( -0.656 -8.518 -4.181) 9.511 3.139 ( 0.294 3.172 -0.026) 3.186 3.711 ( 0.135 4.849 -0.005) 4.851 4.157 ( -3.064 4.497 -6.225) 8.268 4.193 ( 2.617 1.076 4.061) 4.949 4.374 ( -1.001 9.816 3.053) 10.329 4.587 ( 6.994 7.046 -0.304) 9.933 4.739 ( -9.109 -2.786 -6.181) 11.355 4.925 ( 3.338 -12.073 5.990) 13.884 5.659 ( -0.468 4.514 -1.353) 4.735 5.702 ( 0.440 0.278 0.960) 1.092 6.181 ( 0.076 -8.018 -0.332) 8.026 6.661 ( 0.153 2.337 1.248) 2.654 6.726 ( 0.231 -3.931 -2.106) 4.465 6.854 ( -0.575 -2.691 1.534) 3.151 7.210 ( -0.016 2.880 -0.272) 2.893 7.953 ( 0.104 -0.711 0.292) 0.775 8.851 ( -0.849 8.904 1.419) 9.056 9.359 ( 1.145 9.143 -3.351) 9.804 9.456 ( -1.200 -0.245 -2.785) 3.043 9.567 ( 3.267 9.486 1.388) 10.128 9.716 ( 0.197 10.247 -1.775) 10.401 9.801 ( -3.117 2.149 6.660) 7.660 9.992 ( 4.560 -9.175 -3.351) 10.779 10.245 ( -8.321 4.156 0.116) 9.302 10.361 ( -0.554 -0.409 5.617) 5.659 10.568 ( 5.538 -3.519 -3.119) 7.265 10.860 ( -0.593 -8.681 1.796) 8.884 11.290 ( 0.212 4.279 -1.974) 4.717 11.907 ( -0.444 -9.908 -2.962) 10.351 12.640 ( 0.422 3.625 13.180) 13.676 12.821 ( -0.192 -14.814 -11.744) 18.905 13.414 ( -0.074 0.724 -0.040) 0.729 14.904 ( 0.075 17.734 0.964) 17.761 16.303 ( 0.043 5.228 -0.917) 5.308 16.682 ( -1.155 -2.865 3.910) 4.983 16.952 ( 0.790 -23.740 -4.146) 24.112 17.528 ( 0.825 9.045 0.219) 9.085 18.464 ( -2.817 7.000 13.523) 15.486 18.566 ( 2.224 -3.295 -12.942) 13.538 20.462 ( 0.020 -1.361 0.026) 1.362 22.330 ( -0.003 1.201 0.056) 1.202 ======================= Grid point 115 (67/91) ======================= q-point: ( 0.17 -0.17 -0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.580 ( -24.790 -7.626 -0.000) 25.937 1.735 ( -21.089 -3.231 -0.000) 21.335 2.385 ( 7.414 12.006 -0.000) 14.110 2.608 ( 7.413 14.023 -0.000) 15.862 2.758 ( -25.048 -8.900 -0.000) 26.582 3.065 ( 0.441 -3.420 0.000) 3.448 3.340 ( -6.923 -3.196 -0.000) 7.625 3.367 ( 0.537 -1.578 0.000) 1.667 3.589 ( 1.213 2.632 -0.000) 2.898 3.643 ( 7.807 -12.164 0.000) 14.453 3.995 ( 13.173 0.566 0.000) 13.185 4.056 ( -3.611 -3.568 -0.000) 5.077 4.156 ( -1.315 5.483 -0.000) 5.638 4.708 ( 7.035 -8.101 0.000) 10.729 5.173 ( -11.146 0.553 -0.000) 11.160 5.347 ( -3.728 12.555 -0.000) 13.096 6.134 ( -0.346 -2.284 0.000) 2.311 6.337 ( -7.321 10.829 -0.000) 13.072 6.662 ( 13.133 -0.348 0.000) 13.138 6.938 ( 1.152 0.082 0.000) 1.155 7.134 ( 0.750 0.221 0.000) 0.782 7.294 ( -1.201 -4.577 0.000) 4.732 8.331 ( 0.886 0.978 -0.000) 1.320 8.880 ( -4.234 -5.275 0.000) 6.764 8.929 ( -3.043 -7.909 0.000) 8.474 9.166 ( -8.326 -15.528 0.000) 17.619 9.314 ( -9.474 -1.556 -0.000) 9.601 9.336 ( 11.247 5.488 0.000) 12.515 9.646 ( 1.687 2.300 -0.000) 2.853 9.816 ( 6.380 -6.064 0.000) 8.802 10.074 ( -7.919 -6.445 -0.000) 10.210 10.236 ( 22.179 5.042 0.000) 22.745 10.698 ( 13.122 6.231 0.000) 14.526 10.877 ( 26.185 4.866 0.000) 26.633 11.383 ( -3.345 -2.804 -0.000) 4.364 12.191 ( -6.882 -6.260 -0.000) 9.303 12.896 ( 7.789 27.626 -0.000) 28.703 13.315 ( -4.499 -1.435 -0.000) 4.722 13.705 ( -11.580 -1.629 -0.000) 11.694 15.021 ( 10.630 -16.596 0.000) 19.708 15.170 ( -16.268 -6.464 -0.000) 17.505 16.242 ( 13.667 15.363 -0.000) 20.562 16.830 ( 8.062 -7.886 0.000) 11.278 17.489 ( -14.258 16.084 -0.000) 21.493 19.332 ( -14.636 -4.438 -0.000) 15.294 19.640 ( -3.594 -0.191 -0.000) 3.600 20.201 ( 13.704 -1.745 0.000) 13.814 22.594 ( 2.771 -0.634 0.000) 2.843 ======================= Grid point 121 (68/91) ======================= q-point: ( 0.31 -0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.410 ( -13.847 22.609 2.794) 26.659 1.618 ( -5.377 23.448 9.388) 25.824 2.679 ( 13.381 -1.092 1.734) 13.537 2.773 ( -5.433 4.594 -3.693) 8.017 2.850 ( 3.653 -1.239 1.466) 4.126 2.970 ( 6.341 6.243 1.347) 9.000 3.253 ( 0.083 -1.653 -6.320) 6.534 3.322 ( -3.402 6.643 -1.708) 7.656 3.522 ( 4.854 -2.316 6.898) 8.747 3.628 ( -3.486 -3.245 -2.082) 5.198 3.842 ( -1.359 -6.302 -4.598) 7.919 4.123 ( -2.170 0.948 5.945) 6.399 4.340 ( 7.756 -3.799 2.908) 9.113 4.674 ( -5.588 -2.858 9.281) 11.205 5.062 ( -2.645 7.483 -7.570) 10.968 5.491 ( 1.201 6.778 0.267) 6.889 5.995 ( -1.042 1.062 -8.420) 8.550 6.451 ( 1.902 4.494 -2.639) 5.548 6.676 ( -0.091 -8.833 2.741) 9.249 6.913 ( 0.814 -1.067 -3.269) 3.534 7.165 ( -6.498 -0.451 -0.666) 6.548 7.196 ( 1.482 -0.872 2.447) 2.991 8.472 ( 2.174 3.253 8.099) 8.994 8.720 ( -5.345 5.139 -0.231) 7.418 8.734 ( -0.622 2.436 -10.501) 10.798 9.044 ( -0.737 3.306 6.278) 7.134 9.291 ( -2.760 4.485 -0.091) 5.267 9.434 ( 4.483 -4.607 -0.739) 6.471 9.671 ( 6.009 -2.811 -2.470) 7.079 9.795 ( -2.271 1.498 3.216) 4.212 10.079 ( -1.300 2.835 5.365) 6.206 10.262 ( -2.674 -22.597 1.998) 22.842 10.803 ( 2.119 -16.472 -0.210) 16.609 10.877 ( -5.637 -27.284 1.202) 27.887 11.411 ( 7.887 0.228 -1.427) 8.018 12.002 ( -8.503 14.825 -0.276) 17.093 13.092 ( -4.198 -9.551 -7.279) 12.721 13.315 ( -0.120 4.653 1.256) 4.821 13.899 ( 29.358 9.601 -5.674) 31.405 14.551 ( -19.593 -4.103 -8.684) 21.820 15.267 ( -0.640 13.409 14.057) 19.437 16.570 ( 1.693 -13.058 7.820) 15.314 16.756 ( -1.362 -11.345 7.567) 13.705 17.715 ( 7.794 10.797 -2.930) 13.635 19.004 ( -20.131 15.644 -8.811) 26.974 19.461 ( 8.700 11.309 -17.271) 22.402 20.256 ( 5.988 -9.877 -1.541) 11.653 22.535 ( -0.271 -3.907 -4.297) 5.815 ======================= Grid point 122 (69/91) ======================= q-point: (-0.19 -0.19 0.19) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.671 ( 0.000 0.000 -25.427) 25.427 1.671 ( 0.000 0.000 -25.427) 25.427 2.724 ( -0.000 -0.000 7.066) 7.066 2.724 ( -0.000 -0.000 7.066) 7.066 3.015 ( -0.000 -0.000 8.542) 8.542 3.015 ( -0.000 -0.000 8.542) 8.542 3.066 ( 0.000 0.000 -36.374) 36.374 3.296 ( 0.000 0.000 -9.215) 9.215 3.353 ( -0.000 -0.000 16.735) 16.735 3.608 ( -0.000 -0.000 5.729) 5.729 4.009 ( -0.000 -0.000 3.991) 3.991 4.009 ( -0.000 -0.000 3.991) 3.991 4.296 ( 0.000 0.000 -0.477) 0.477 5.161 ( 0.000 0.000 -7.696) 7.696 5.161 ( 0.000 0.000 -7.696) 7.696 5.305 ( 0.000 0.000 -6.507) 6.507 5.376 ( -0.000 -0.000 8.172) 8.172 6.526 ( 0.000 0.000 -1.052) 1.052 6.816 ( -0.000 -0.000 1.994) 1.994 6.816 ( -0.000 -0.000 1.994) 1.994 7.160 ( -0.000 -0.000 6.139) 6.139 7.184 ( -0.000 -0.000 2.411) 2.411 8.266 ( -0.000 -0.000 3.239) 3.239 8.432 ( 0.000 0.000 -5.585) 5.585 8.432 ( 0.000 0.000 -5.585) 5.585 9.018 ( 0.000 0.000 -2.187) 2.187 9.018 ( 0.000 0.000 -2.187) 2.187 9.225 ( -0.000 -0.000 6.184) 6.184 9.709 ( -0.000 -0.000 3.159) 3.159 9.709 ( -0.000 -0.000 3.159) 3.159 10.302 ( 0.000 0.000 -18.379) 18.379 10.982 ( -0.000 -0.000 7.412) 7.412 10.982 ( -0.000 -0.000 7.412) 7.412 11.165 ( -0.000 -0.000 7.928) 7.928 11.705 ( -0.000 -0.000 24.917) 24.917 12.613 ( 0.000 0.000 -14.478) 14.478 12.742 ( -0.000 -0.000 1.369) 1.369 12.742 ( -0.000 -0.000 1.369) 1.369 13.234 ( 0.000 0.000 -5.036) 5.036 14.251 ( -0.000 -0.000 2.944) 2.944 15.788 ( 0.000 0.000 -22.224) 22.224 16.898 ( -0.000 -0.000 6.873) 6.873 16.898 ( -0.000 -0.000 6.873) 6.873 18.149 ( -0.000 -0.000 9.981) 9.981 18.159 ( 0.000 0.000 -20.275) 20.275 18.159 ( 0.000 0.000 -20.275) 20.275 20.455 ( -0.000 -0.000 0.526) 0.526 22.436 ( -0.000 -0.000 8.371) 8.371 ======================= Grid point 124 (70/91) ======================= q-point: ( 0.31 -0.19 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.634 ( -4.941 24.855 5.230) 25.876 2.061 ( 3.196 21.424 6.940) 22.745 2.543 ( -17.147 -0.029 -3.563) 17.514 2.565 ( -8.516 -10.784 -2.084) 13.898 2.934 ( 5.322 -0.892 -1.378) 5.569 3.150 ( 4.233 -1.325 -9.269) 10.275 3.217 ( 8.360 -4.965 -3.867) 10.464 3.413 ( 1.425 -2.710 1.201) 3.289 3.538 ( 2.609 -6.559 -3.921) 8.074 3.568 ( -1.678 -3.373 2.389) 4.461 3.893 ( 7.092 6.881 1.969) 10.076 4.188 ( -0.610 -0.780 7.724) 7.787 4.406 ( 6.531 3.870 7.032) 10.348 4.517 ( -3.636 -4.330 9.828) 11.339 5.147 ( -5.986 8.680 -13.726) 17.308 5.575 ( -5.870 7.574 3.797) 10.307 5.993 ( 0.872 -0.655 -8.467) 8.537 6.401 ( -2.203 -1.218 -2.862) 3.811 6.670 ( -9.483 8.578 5.003) 13.731 6.884 ( -1.466 -0.651 -4.694) 4.960 7.087 ( 1.339 -1.154 0.456) 1.826 7.246 ( 4.275 0.037 0.537) 4.309 8.554 ( -1.077 1.837 18.400) 18.522 8.763 ( 0.296 2.671 -13.803) 14.062 8.820 ( 6.026 3.130 -4.126) 7.946 9.165 ( 7.394 -1.788 2.046) 7.878 9.295 ( 2.399 -2.731 -0.071) 3.636 9.478 ( 8.397 -1.559 -2.394) 8.870 9.621 ( -0.428 -10.297 2.886) 10.702 9.851 ( 4.672 -2.409 1.962) 5.611 9.906 ( 2.699 -9.351 3.433) 10.320 10.055 ( 1.910 -14.327 -0.814) 14.477 10.295 ( 1.213 -4.789 8.366) 9.716 10.583 ( -2.503 -13.327 3.611) 14.033 11.463 ( 2.445 -3.770 -3.981) 6.003 12.243 ( -5.655 22.252 1.055) 22.984 12.830 ( -10.254 -3.777 -4.915) 11.982 13.387 ( 0.106 2.205 0.585) 2.283 14.110 ( -15.332 -1.073 -10.370) 18.541 14.506 ( 23.911 -4.388 -2.487) 24.437 15.571 ( 3.925 14.072 11.209) 18.414 16.169 ( -13.833 -9.635 6.762) 18.164 16.695 ( 11.459 -10.896 7.015) 17.298 17.849 ( -13.537 11.186 -4.134) 18.040 19.085 ( -4.397 17.138 -13.371) 22.178 19.752 ( 6.702 4.833 0.466) 8.276 20.114 ( 0.618 -14.190 -4.804) 14.994 22.469 ( 1.902 -3.902 -5.228) 6.795 ======================= Grid point 125 (71/91) ======================= q-point: ( 0.31 -0.19 -0.48) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.002 ( -21.279 0.100 -2.179) 21.391 2.049 ( -7.875 4.686 2.477) 9.493 2.302 ( -0.977 3.206 3.818) 5.081 2.551 ( 4.342 16.954 4.370) 18.039 2.953 ( -1.353 -2.844 -5.055) 5.956 3.074 ( -1.315 -5.420 -6.720) 8.734 3.266 ( 2.903 -8.918 -5.567) 10.906 3.366 ( 4.325 -0.894 2.074) 4.880 3.520 ( 6.637 1.587 -6.292) 9.282 3.585 ( -0.242 -1.403 2.650) 3.008 3.897 ( -7.773 -9.194 3.746) 12.609 4.117 ( 5.381 5.262 5.990) 9.619 4.328 ( -6.813 -5.844 6.847) 11.289 4.675 ( 7.072 -0.082 10.563) 12.712 5.168 ( -6.764 6.375 -13.387) 16.297 5.560 ( -8.737 5.884 3.362) 11.057 6.008 ( 1.893 -1.082 -8.815) 9.080 6.409 ( -0.438 3.721 -3.164) 4.904 6.620 ( -7.849 6.371 5.101) 11.324 6.877 ( 0.073 1.208 -4.226) 4.396 7.131 ( 3.185 0.252 1.773) 3.654 7.278 ( 1.130 -3.707 -1.367) 4.109 8.516 ( -3.658 0.524 15.258) 15.699 8.785 ( -2.038 0.592 -12.973) 13.145 8.917 ( 0.025 -7.423 -5.037) 8.970 9.146 ( 7.347 1.556 1.677) 7.695 9.336 ( -3.029 -17.238 2.245) 17.645 9.429 ( 3.336 -4.939 4.231) 7.309 9.558 ( 0.923 -0.628 -4.376) 4.516 9.721 ( 15.765 1.861 2.548) 16.078 9.994 ( -0.626 -1.651 7.255) 7.467 10.161 ( 16.105 -5.252 -2.297) 17.095 10.375 ( 11.245 -4.499 6.645) 13.814 10.502 ( 12.274 5.552 4.707) 14.270 11.410 ( -1.555 -1.696 -4.114) 4.714 12.381 ( -14.888 2.091 -2.363) 15.219 12.764 ( 2.829 14.401 -1.693) 14.773 13.387 ( -2.191 -0.097 0.573) 2.266 13.860 ( -13.117 4.052 -8.112) 15.946 14.706 ( 14.586 -13.794 -5.019) 20.693 15.590 ( -13.996 -4.430 10.038) 17.784 16.134 ( 9.181 13.483 9.299) 18.777 16.708 ( 11.199 -10.570 5.224) 16.261 17.766 ( -16.702 12.676 -2.919) 21.170 19.327 ( -5.782 13.564 -15.725) 21.557 19.718 ( -7.796 -19.322 -8.635) 22.554 19.963 ( 9.327 3.813 5.954) 11.704 22.473 ( 4.152 -1.874 -5.122) 6.854 ======================= Grid point 127 (72/91) ======================= q-point: (-0.19 -0.19 -0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 Number of triplets: 152 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.670 ( 0.000 0.000 -16.663) 16.663 2.166 ( 0.000 0.000 -8.039) 8.039 2.321 ( 0.000 0.000 4.031) 4.031 2.478 ( -0.000 -0.000 -5.040) 5.040 2.596 ( 0.000 0.000 5.679) 5.679 2.786 ( -0.000 0.000 13.097) 13.097 2.949 ( -0.000 0.000 17.191) 17.191 3.227 ( 0.000 0.000 4.494) 4.494 3.707 ( 0.000 -0.000 -4.414) 4.414 3.964 ( 0.000 0.000 -11.050) 11.050 4.397 ( 0.000 0.000 2.426) 2.426 4.465 ( -0.000 -0.000 -7.025) 7.025 4.504 ( 0.000 0.000 -0.656) 0.656 4.722 ( 0.000 0.000 -3.958) 3.958 4.846 ( 0.000 -0.000 4.831) 4.831 5.552 ( 0.000 0.000 -9.246) 9.246 5.754 ( 0.000 0.000 2.247) 2.247 6.077 ( 0.000 0.000 -1.753) 1.753 6.593 ( 0.000 -0.000 1.224) 1.224 6.804 ( 0.000 0.000 -1.819) 1.819 6.943 ( 0.000 -0.000 12.180) 12.180 7.263 ( 0.000 0.000 2.206) 2.206 8.074 ( 0.000 0.000 11.535) 11.535 8.964 ( 0.000 0.000 1.276) 1.276 9.233 ( 0.000 0.000 -15.006) 15.006 9.449 ( 0.000 0.000 -2.474) 2.474 9.629 ( 0.000 0.000 -5.134) 5.134 9.769 ( -0.000 0.000 -2.748) 2.748 9.846 ( 0.000 0.000 2.079) 2.079 9.880 ( 0.000 -0.000 -2.055) 2.055 10.345 ( 0.000 0.000 1.478) 1.478 10.406 ( -0.000 0.000 -9.296) 9.296 10.478 ( 0.000 -0.000 6.483) 6.483 10.653 ( 0.000 -0.000 -4.536) 4.536 11.362 ( 0.000 0.000 2.792) 2.792 11.990 ( 0.000 0.000 14.441) 14.441 12.336 ( 0.000 0.000 -15.209) 15.209 13.038 ( 0.000 0.000 17.645) 17.645 13.413 ( 0.000 0.000 -0.849) 0.849 15.125 ( 0.000 0.000 3.309) 3.309 16.236 ( 0.000 0.000 -14.148) 14.148 16.436 ( 0.000 0.000 -11.641) 11.641 16.833 ( 0.000 0.000 7.736) 7.736 17.849 ( 0.000 0.000 19.447) 19.447 17.914 ( 0.000 0.000 -27.511) 27.511 19.175 ( 0.000 0.000 30.556) 30.556 20.363 ( 0.000 0.000 -7.807) 7.807 22.374 ( 0.000 0.000 2.874) 2.874 ======================= Grid point 134 (73/91) ======================= q-point: ( 0.46 -0.21 0.21) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 Number of triplets: 292 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.884 ( -5.515 18.121 5.403) 19.697 2.203 ( 0.322 17.781 7.979) 19.492 2.539 ( 4.802 -9.109 -0.280) 10.301 2.663 ( -8.454 1.337 -10.650) 13.663 2.859 ( 2.327 -0.409 -0.333) 2.386 2.948 ( 9.639 -0.267 -0.501) 9.656 3.078 ( -5.975 0.650 -1.929) 6.312 3.293 ( 1.827 -4.519 -6.820) 8.383 3.371 ( -0.460 -6.841 -8.388) 10.834 3.711 ( 2.060 -8.434 6.443) 10.812 3.910 ( -0.971 5.435 9.434) 10.931 4.278 ( 0.601 -8.751 2.941) 9.251 4.445 ( 3.948 16.901 4.054) 17.823 4.867 ( -5.071 -0.202 8.061) 9.526 4.958 ( -1.353 1.096 -4.696) 5.008 5.617 ( 1.003 5.753 -3.176) 6.648 5.812 ( -0.345 -1.700 -7.976) 8.163 6.397 ( -0.325 0.485 -1.025) 1.180 6.795 ( 1.206 5.571 2.645) 6.284 6.831 ( 1.856 4.546 -3.263) 5.896 7.121 ( -6.347 0.185 -2.845) 6.958 7.167 ( 2.961 -3.027 -2.159) 4.754 8.430 ( -0.823 4.959 -15.148) 15.960 8.714 ( -3.194 2.823 -1.850) 4.647 8.942 ( 5.842 3.434 9.239) 11.457 9.130 ( 3.760 -4.564 -5.973) 8.405 9.254 ( -6.098 -3.216 12.085) 13.913 9.440 ( -3.950 -9.448 5.147) 11.461 9.542 ( 3.250 -2.911 1.142) 4.510 9.815 ( 2.943 -17.552 1.353) 17.848 10.023 ( 1.432 -4.479 0.977) 4.803 10.170 ( -5.919 -4.343 9.518) 12.020 10.518 ( -0.258 -4.618 10.214) 11.212 10.691 ( 0.196 -11.626 6.400) 13.273 11.289 ( 2.376 -2.028 -7.637) 8.251 12.321 ( -0.804 18.464 -0.407) 18.486 12.832 ( -2.610 -2.081 -6.480) 7.289 13.397 ( -0.099 1.903 0.381) 1.943 13.853 ( 14.101 5.113 -13.707) 20.319 14.308 ( -10.801 -5.654 -4.107) 12.865 15.832 ( 0.238 11.280 15.842) 19.449 16.533 ( -2.755 -11.698 10.706) 16.095 16.677 ( 3.043 -12.420 6.264) 14.239 17.847 ( 2.399 9.685 -3.918) 10.719 19.013 ( -18.180 15.716 -18.123) 30.099 19.270 ( 15.627 7.559 -18.047) 25.041 20.203 ( 0.551 -5.429 9.678) 11.110 22.329 ( -0.223 -5.717 -5.535) 7.961 ======================= Grid point 137 (74/91) ======================= q-point: ( 0.46 -0.21 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.158 ( -0.069 16.805 6.299) 17.947 2.291 ( -12.035 -6.975 -2.303) 14.100 2.511 ( -7.034 3.842 1.903) 8.238 2.575 ( 0.933 11.111 0.142) 11.151 2.847 ( 0.134 -0.683 -3.935) 3.996 2.927 ( -3.284 -5.100 -2.816) 6.688 3.174 ( 5.466 4.505 -4.972) 8.654 3.234 ( 0.109 -6.277 -7.259) 9.597 3.297 ( 6.173 -5.402 -1.347) 8.312 3.588 ( -0.158 -2.911 6.315) 6.956 4.028 ( 5.834 -2.244 3.707) 7.267 4.134 ( 5.070 -7.793 3.367) 9.888 4.697 ( -12.192 0.319 8.026) 14.600 4.832 ( 5.757 8.544 10.917) 15.010 4.955 ( -2.848 1.973 -11.577) 12.084 5.659 ( -2.911 2.152 -4.832) 6.038 5.786 ( 1.446 -1.338 -8.332) 8.562 6.420 ( -3.764 4.320 0.305) 5.738 6.801 ( -2.663 2.404 -3.540) 5.041 6.926 ( -10.422 6.732 3.048) 12.776 7.055 ( 3.437 0.000 -2.572) 4.293 7.209 ( 1.272 -0.918 -3.282) 3.637 8.489 ( -2.958 3.816 -15.076) 15.831 8.764 ( 2.813 0.188 -3.659) 4.620 9.023 ( -4.432 -6.581 11.424) 13.909 9.117 ( 0.808 -8.490 1.157) 8.607 9.146 ( 14.766 -3.480 2.652) 15.400 9.318 ( 14.124 -5.278 -4.169) 15.644 9.567 ( 3.334 0.886 4.293) 5.507 9.608 ( -1.125 -11.145 4.724) 12.157 9.820 ( 7.760 -5.638 7.832) 12.384 10.283 ( -0.754 4.917 12.421) 13.380 10.446 ( -0.109 -1.236 6.442) 6.561 10.554 ( 3.481 -4.137 11.192) 12.429 11.274 ( 1.112 -2.259 -8.339) 8.710 12.592 ( -10.174 9.827 -1.861) 14.267 12.722 ( -3.262 5.609 -3.174) 7.223 13.416 ( -0.404 0.452 -0.174) 0.631 13.837 ( -10.031 2.071 -16.295) 19.247 14.330 ( 14.103 -8.053 -2.556) 16.440 16.021 ( -4.638 4.027 12.562) 13.983 16.266 ( -0.809 1.853 10.822) 11.010 16.627 ( 11.277 -12.078 7.164) 18.011 17.922 ( -9.066 7.657 -6.232) 13.404 19.091 ( -7.752 16.706 -16.502) 24.729 19.457 ( 0.862 -8.594 -18.145) 20.096 20.127 ( 0.986 -1.073 12.372) 12.457 22.267 ( 3.721 -3.559 -5.710) 7.689 ======================= Grid point 147 (75/91) ======================= q-point: (-0.40 -0.23 0.23) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.297 ( 1.126 10.418 7.326) 12.785 2.408 ( -1.713 -3.015 0.390) 3.490 2.485 ( -1.608 2.508 -10.880) 11.281 2.527 ( 1.894 3.414 -0.865) 3.999 2.802 ( 1.153 5.088 -7.434) 9.082 2.873 ( -4.501 0.564 -2.702) 5.280 2.987 ( 4.879 -5.911 -4.696) 8.989 3.262 ( -6.569 4.383 6.529) 10.246 3.278 ( 4.556 -2.495 7.710) 9.297 3.766 ( 1.629 -0.556 6.410) 6.638 3.991 ( 0.131 -3.907 1.720) 4.271 4.111 ( -1.026 -10.494 -0.823) 10.576 4.536 ( -0.065 2.527 -16.330) 16.524 5.001 ( 3.610 9.306 6.970) 12.175 5.121 ( -4.302 -1.436 9.819) 10.816 5.517 ( 1.277 -1.265 -8.897) 9.077 5.617 ( -0.547 -4.324 -5.659) 7.143 6.480 ( -0.081 6.138 0.719) 6.181 6.821 ( 1.030 3.614 -0.101) 3.760 6.928 ( -3.478 0.116 -3.304) 4.798 7.015 ( 3.175 -4.505 -3.702) 6.640 7.136 ( -0.604 8.080 -2.328) 8.431 8.277 ( -0.387 7.994 -9.775) 12.633 8.684 ( 1.261 -1.095 -3.172) 3.585 8.848 ( -1.874 -13.780 -4.043) 14.483 9.015 ( 2.764 0.873 -2.258) 3.674 9.175 ( -3.149 -13.971 -0.016) 14.321 9.269 ( 0.726 -9.093 1.923) 9.323 9.604 ( 2.203 -1.165 1.435) 2.876 9.649 ( -1.867 -5.941 1.455) 6.395 10.273 ( 1.232 5.037 30.876) 31.309 10.512 ( -1.500 7.914 9.641) 12.563 10.688 ( 2.937 -5.418 10.663) 12.316 10.720 ( -3.310 -2.978 10.118) 11.055 11.056 ( 0.742 -2.175 -9.676) 9.945 12.620 ( 3.916 13.465 -1.196) 14.074 12.732 ( -4.890 2.883 -4.307) 7.125 13.397 ( -0.337 0.041 -2.114) 2.141 13.504 ( 2.374 -3.745 -19.410) 19.910 14.195 ( -1.027 -2.924 0.470) 3.134 16.258 ( 0.488 5.438 6.015) 8.124 16.577 ( -7.724 -6.824 9.343) 13.911 16.594 ( 7.390 -8.017 7.631) 13.308 17.892 ( 0.024 3.207 -2.143) 3.857 18.883 ( -4.149 12.605 -19.650) 23.712 18.989 ( 4.141 2.270 -18.180) 18.783 20.343 ( -0.052 -2.482 8.190) 8.558 22.172 ( -0.023 -3.455 0.866) 3.561 ======================= Grid point 160 (76/91) ======================= q-point: (-0.25 -0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.160 ( 0.000 0.000 -20.262) 20.262 2.160 ( 0.000 0.000 -20.262) 20.262 2.577 ( -0.000 -0.000 6.544) 6.544 2.577 ( -0.000 -0.000 6.544) 6.544 2.855 ( -0.000 -0.000 4.852) 4.852 2.855 ( -0.000 -0.000 4.852) 4.852 3.060 ( -0.000 -0.000 11.132) 11.132 3.347 ( -0.000 -0.000 1.094) 1.094 3.484 ( -0.000 -0.000 6.244) 6.244 3.723 ( 0.000 0.000 -18.947) 18.947 3.961 ( -0.000 -0.000 0.999) 0.999 3.961 ( -0.000 -0.000 0.999) 0.999 4.299 ( 0.000 0.000 -3.043) 3.043 5.230 ( -0.000 -0.000 1.526) 1.526 5.230 ( -0.000 -0.000 1.526) 1.526 5.323 ( 0.000 0.000 -3.711) 3.711 5.430 ( 0.000 0.000 -5.920) 5.920 6.545 ( 0.000 0.000 -0.728) 0.728 6.829 ( 0.000 0.000 -3.170) 3.170 6.829 ( 0.000 0.000 -3.170) 3.170 7.012 ( -0.000 -0.000 7.183) 7.183 7.173 ( 0.000 0.000 -1.432) 1.432 8.265 ( 0.000 0.000 -3.106) 3.106 8.555 ( 0.000 0.000 -5.804) 5.804 8.555 ( 0.000 0.000 -5.804) 5.804 9.035 ( -0.000 -0.000 0.234) 0.234 9.035 ( -0.000 -0.000 0.234) 0.234 9.164 ( -0.000 -0.000 0.234) 0.234 9.646 ( -0.000 -0.000 2.787) 2.787 9.646 ( -0.000 -0.000 2.787) 2.787 10.646 ( 0.000 0.000 -13.131) 13.131 10.810 ( -0.000 -0.000 8.861) 8.861 10.810 ( -0.000 -0.000 8.861) 8.861 10.994 ( -0.000 -0.000 7.276) 7.276 11.093 ( -0.000 -0.000 33.395) 33.395 12.735 ( 0.000 0.000 -0.608) 0.608 12.735 ( 0.000 0.000 -0.608) 0.608 12.987 ( 0.000 0.000 -20.921) 20.921 13.331 ( 0.000 0.000 -4.018) 4.018 14.199 ( -0.000 -0.000 2.071) 2.071 16.178 ( 0.000 0.000 -13.811) 13.811 16.724 ( -0.000 -0.000 9.612) 9.612 16.724 ( -0.000 -0.000 9.612) 9.612 17.963 ( -0.000 -0.000 6.550) 6.550 18.593 ( 0.000 0.000 -20.759) 20.759 18.593 ( 0.000 0.000 -20.759) 20.759 20.425 ( -0.000 -0.000 2.748) 2.748 22.253 ( -0.000 -0.000 8.252) 8.252 ======================= Grid point 161 (77/91) ======================= q-point: ( 0.25 -0.25 0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.403 ( -24.766 23.287 -0.000) 33.995 1.496 ( -1.035 25.870 -0.000) 25.890 2.665 ( 15.359 8.712 0.000) 17.658 2.800 ( 6.708 6.549 0.000) 9.375 2.818 ( 5.930 -4.836 0.000) 7.652 2.961 ( -4.725 11.207 -0.000) 12.162 3.324 ( 0.991 3.013 -0.000) 3.171 3.376 ( 0.415 -0.016 0.000) 0.416 3.427 ( -5.877 -7.401 0.000) 9.451 3.640 ( 1.005 -1.328 0.000) 1.665 3.955 ( -5.348 3.191 -0.000) 6.228 4.000 ( 1.186 -14.176 0.000) 14.226 4.315 ( 8.994 -2.239 0.000) 9.269 4.563 ( -5.605 -4.926 -0.000) 7.462 5.157 ( -2.247 14.337 -0.000) 14.512 5.483 ( 0.688 2.239 -0.000) 2.342 6.099 ( -1.186 0.375 -0.000) 1.244 6.485 ( 2.895 9.540 -0.000) 9.970 6.643 ( -1.383 -14.038 0.000) 14.106 6.946 ( 0.806 -0.998 0.000) 1.283 7.154 ( 1.522 -1.718 0.000) 2.295 7.173 ( -6.444 1.326 -0.000) 6.579 8.348 ( 0.650 -0.876 0.000) 1.091 8.723 ( -7.087 6.857 -0.000) 9.861 8.876 ( 2.644 1.963 0.000) 3.293 8.999 ( -2.301 4.326 -0.000) 4.900 9.278 ( -1.812 10.952 -0.000) 11.101 9.454 ( 5.993 -7.296 0.000) 9.441 9.683 ( -2.050 -4.266 0.000) 4.733 9.772 ( 4.715 -4.375 0.000) 6.432 10.006 ( -0.589 7.106 -0.000) 7.130 10.245 ( -3.522 -24.581 0.000) 24.832 10.801 ( 3.709 -13.156 0.000) 13.669 10.866 ( -6.311 -34.328 0.000) 34.904 11.423 ( 7.140 3.880 0.000) 8.126 12.009 ( -10.658 14.825 -0.000) 18.258 13.172 ( -3.216 -12.500 0.000) 12.907 13.300 ( -0.041 5.289 -0.000) 5.289 13.958 ( 30.217 9.750 0.000) 31.751 14.667 ( -20.320 -6.763 -0.000) 21.415 15.101 ( -0.766 16.043 -0.000) 16.061 16.481 ( 5.735 -12.588 0.000) 13.833 16.670 ( -5.108 -9.761 0.000) 11.016 17.750 ( 8.574 11.067 -0.000) 14.000 19.091 ( -16.112 15.415 -0.000) 22.298 19.638 ( 0.052 4.140 -0.000) 4.140 20.313 ( 10.222 -12.463 0.000) 16.119 22.586 ( -0.151 -3.350 0.000) 3.354 ======================= Grid point 162 (78/91) ======================= q-point: ( 0.25 -0.25 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.579 ( -5.431 26.652 -0.000) 27.200 1.981 ( 3.097 22.039 -0.000) 22.256 2.560 ( -9.572 -6.556 -0.000) 11.602 2.608 ( -16.711 -5.579 -0.000) 17.617 2.949 ( 7.141 0.583 0.000) 7.165 3.288 ( 6.804 -6.977 0.000) 9.745 3.325 ( 0.740 -4.412 0.000) 4.473 3.368 ( 5.757 4.487 0.000) 7.299 3.419 ( 9.714 -7.593 0.000) 12.329 3.616 ( -4.300 -3.442 -0.000) 5.508 3.962 ( -3.530 6.733 -0.000) 7.602 4.035 ( 6.275 9.322 -0.000) 11.237 4.350 ( -1.096 -6.518 0.000) 6.609 4.380 ( 3.951 -5.443 0.000) 6.726 5.370 ( -5.826 14.155 -0.000) 15.307 5.463 ( -7.855 4.638 -0.000) 9.122 6.095 ( 1.515 -0.831 0.000) 1.728 6.448 ( 1.646 -6.120 0.000) 6.338 6.600 ( -13.857 12.700 -0.000) 18.797 6.938 ( -0.281 -0.975 0.000) 1.015 7.076 ( 0.433 -1.096 0.000) 1.178 7.235 ( 5.173 0.707 0.000) 5.221 8.341 ( -0.898 0.138 -0.000) 0.908 8.842 ( 6.526 5.223 0.000) 8.359 9.034 ( -1.233 0.826 -0.000) 1.484 9.057 ( 11.660 1.813 0.000) 11.800 9.322 ( -2.315 -6.730 0.000) 7.117 9.504 ( 8.641 -2.831 0.000) 9.092 9.547 ( -2.236 -2.268 0.000) 3.185 9.841 ( -2.296 -5.264 0.000) 5.742 9.868 ( 12.813 -5.594 0.000) 13.981 10.104 ( -1.829 -32.562 0.000) 32.613 10.170 ( 5.751 5.571 0.000) 8.007 10.544 ( -2.792 -14.442 0.000) 14.709 11.505 ( 2.357 -3.215 0.000) 3.986 12.233 ( -6.577 23.428 -0.000) 24.334 12.882 ( -9.816 -5.296 -0.000) 11.154 13.380 ( 0.090 2.445 -0.000) 2.447 14.222 ( -15.448 -3.364 -0.000) 15.810 14.539 ( 24.268 -3.335 0.000) 24.496 15.446 ( 4.212 15.811 -0.000) 16.362 16.094 ( -15.336 -9.733 -0.000) 18.164 16.616 ( 11.581 -9.434 0.000) 14.937 17.895 ( -13.971 11.424 -0.000) 18.047 19.244 ( 0.801 16.862 -0.000) 16.881 19.698 ( -0.664 2.388 -0.000) 2.478 20.203 ( 4.285 -15.915 0.000) 16.482 22.530 ( 1.772 -3.493 0.000) 3.917 ======================= Grid point 165 (79/91) ======================= q-point: ( 0.25 -0.25 -0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.022 ( -6.790 9.494 -0.000) 11.672 2.029 ( -22.198 -4.915 -0.000) 22.735 2.261 ( 0.033 1.835 -0.000) 1.835 2.504 ( 3.088 16.528 -0.000) 16.814 3.009 ( -1.414 -4.455 0.000) 4.674 3.136 ( -6.762 -1.368 -0.000) 6.899 3.308 ( 5.610 -3.311 0.000) 6.514 3.447 ( 11.347 -11.065 0.000) 15.849 3.452 ( -0.320 -5.384 0.000) 5.393 3.628 ( 0.209 7.435 -0.000) 7.438 3.841 ( -6.134 -6.304 0.000) 8.796 4.074 ( 0.175 7.035 -0.000) 7.037 4.237 ( -4.114 -7.322 0.000) 8.398 4.549 ( 9.756 -1.467 0.000) 9.866 5.398 ( -12.069 5.642 -0.000) 13.323 5.441 ( -5.818 8.192 -0.000) 10.048 6.116 ( 2.277 -1.706 0.000) 2.845 6.464 ( 6.904 -1.264 0.000) 7.018 6.544 ( -14.410 12.035 -0.000) 18.775 6.924 ( 0.217 0.076 0.000) 0.230 7.102 ( 2.453 -0.140 0.000) 2.457 7.292 ( 1.444 -3.402 0.000) 3.695 8.330 ( -0.743 0.840 -0.000) 1.122 8.955 ( -3.820 -3.949 0.000) 5.495 8.987 ( -3.064 -9.759 0.000) 10.228 9.112 ( 10.299 3.641 0.000) 10.924 9.314 ( -5.152 -13.874 0.000) 14.799 9.377 ( 6.119 1.084 0.000) 6.214 9.622 ( 0.759 0.107 0.000) 0.767 9.682 ( 7.444 -5.168 0.000) 9.062 9.896 ( 9.530 1.716 0.000) 9.684 10.213 ( -5.973 -8.718 0.000) 10.568 10.277 ( 33.112 -3.905 0.000) 33.341 10.456 ( 12.138 5.594 0.000) 13.365 11.453 ( -1.987 -1.564 -0.000) 2.528 12.407 ( -14.205 2.665 -0.000) 14.452 12.784 ( 2.876 14.232 -0.000) 14.520 13.380 ( -2.414 -0.090 -0.000) 2.415 13.946 ( -12.652 2.322 -0.000) 12.864 14.766 ( 15.603 -12.314 0.000) 19.877 15.479 ( -15.663 -5.138 -0.000) 16.484 16.028 ( 8.279 14.593 -0.000) 16.778 16.650 ( 10.876 -9.915 0.000) 14.717 17.799 ( -17.662 12.960 -0.000) 21.907 19.542 ( -6.230 4.731 -0.000) 7.823 19.697 ( -2.438 0.665 -0.000) 2.527 19.971 ( 9.178 -8.631 0.000) 12.599 22.533 ( 3.630 -1.741 0.000) 4.026 ======================= Grid point 167 (80/91) ======================= q-point: (-0.25 -0.25 -0.25) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 Number of triplets: 77 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.056 ( 0.000 0.000 -18.394) 18.394 2.056 ( 0.000 0.000 18.394) 18.394 2.297 ( 0.000 0.000 0.000) 0.000 2.533 ( 0.000 0.000 0.000) 0.000 2.605 ( 0.000 -0.000 0.000) 0.000 2.656 ( 0.000 0.000 -9.735) 9.735 2.656 ( -0.000 -0.000 9.735) 9.735 3.174 ( 0.000 0.000 0.000) 0.000 3.758 ( 0.000 -0.000 0.000) 0.000 4.204 ( 0.000 0.000 -11.709) 11.709 4.204 ( -0.000 0.000 11.709) 11.709 4.510 ( 0.000 0.000 0.000) 0.000 4.684 ( -0.000 0.000 -10.271) 10.271 4.684 ( -0.000 0.000 10.271) 10.271 4.766 ( 0.000 0.000 0.000) 0.000 5.704 ( 0.000 0.000 -4.141) 4.141 5.704 ( 0.000 0.000 4.141) 4.141 6.099 ( 0.000 0.000 0.000) 0.000 6.688 ( -0.000 -0.000 -10.046) 10.046 6.688 ( -0.000 0.000 10.046) 10.046 6.823 ( 0.000 0.000 0.000) 0.000 7.238 ( 0.000 0.000 0.000) 0.000 7.947 ( 0.000 0.000 0.000) 0.000 8.953 ( 0.000 0.000 0.000) 0.000 9.431 ( 0.000 -0.000 -4.521) 4.521 9.431 ( -0.000 0.000 4.521) 4.521 9.769 ( 0.000 0.000 -6.102) 6.102 9.769 ( -0.000 0.000 6.102) 6.102 9.798 ( 0.000 -0.000 0.000) 0.000 9.897 ( -0.000 0.000 0.000) 0.000 10.360 ( 0.000 0.000 -3.565) 3.565 10.360 ( 0.000 -0.000 3.565) 3.565 10.524 ( -0.000 0.000 0.000) 0.000 10.706 ( -0.000 -0.000 0.000) 0.000 11.337 ( 0.000 0.000 0.000) 0.000 11.809 ( 0.000 0.000 0.000) 0.000 12.674 ( 0.000 0.000 -16.976) 16.976 12.674 ( 0.000 0.000 16.976) 16.976 13.422 ( 0.000 0.000 0.000) 0.000 15.089 ( 0.000 0.000 0.000) 0.000 16.407 ( 0.000 0.000 0.000) 0.000 16.655 ( 0.000 -0.000 -9.378) 9.378 16.655 ( -0.000 0.000 9.378) 9.378 17.623 ( -0.000 0.000 0.000) 0.000 18.529 ( 0.000 0.000 -30.717) 30.717 18.529 ( 0.000 0.000 30.717) 30.717 20.448 ( 0.000 0.000 0.000) 0.000 22.343 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 176 (81/91) ======================= q-point: ( 0.40 -0.27 0.27) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.817 ( -12.711 20.284 1.199) 23.968 2.048 ( -1.849 22.047 6.591) 23.085 2.532 ( 11.775 -9.958 0.187) 15.423 2.792 ( 1.842 -2.256 3.606) 4.635 2.858 ( -4.168 3.678 -4.980) 7.464 3.029 ( 3.220 -1.832 -8.007) 8.822 3.159 ( -1.494 -4.629 -6.325) 7.979 3.396 ( 2.406 -2.897 -0.007) 3.766 3.469 ( -1.102 -5.327 4.274) 6.918 3.654 ( 0.127 -10.959 -3.694) 11.565 3.774 ( 0.617 15.689 0.717) 15.718 4.180 ( 0.261 -1.637 6.457) 6.667 4.300 ( 4.189 4.532 6.244) 8.780 4.611 ( -5.453 -3.268 11.750) 13.360 5.221 ( -1.044 8.402 -14.181) 16.516 5.628 ( 0.630 7.318 2.600) 7.792 5.993 ( -0.489 -1.337 -8.179) 8.302 6.427 ( -0.830 -2.883 -1.570) 3.386 6.737 ( 3.336 11.451 2.428) 12.171 6.904 ( 0.754 0.308 -2.878) 2.991 7.130 ( -3.198 -2.836 1.189) 4.437 7.191 ( -1.362 0.324 -0.302) 1.432 8.536 ( 1.758 3.520 14.468) 14.994 8.778 ( -1.402 2.219 -10.044) 10.381 8.802 ( -3.418 3.520 -2.747) 5.623 9.078 ( -2.878 0.200 3.467) 4.511 9.259 ( 5.594 -5.671 -5.204) 9.516 9.372 ( -0.636 -5.869 1.400) 6.067 9.591 ( 2.909 -5.698 -2.903) 7.026 9.751 ( 1.808 -10.659 5.137) 11.970 9.955 ( -2.210 0.549 5.753) 6.187 10.075 ( -3.622 -16.403 -1.452) 16.861 10.313 ( -2.359 -13.719 8.723) 16.428 10.582 ( 2.468 -13.355 3.790) 14.101 11.415 ( 1.975 -0.578 -4.122) 4.607 12.338 ( -4.374 19.779 -0.901) 20.277 12.940 ( 0.892 -5.953 -3.691) 7.061 13.385 ( -0.012 2.731 0.580) 2.792 14.066 ( 18.154 7.476 -6.056) 20.545 14.427 ( -15.384 -8.448 -6.514) 18.720 15.539 ( -0.620 15.052 11.033) 18.673 16.342 ( 2.773 -10.700 6.991) 13.079 16.539 ( -2.058 -11.714 5.790) 13.228 17.938 ( 3.913 12.422 -3.876) 13.589 19.288 ( -16.244 14.200 -8.418) 23.159 19.610 ( 8.371 4.824 -11.296) 14.864 20.054 ( 4.988 -10.846 2.897) 12.284 22.452 ( -0.200 -4.751 -5.279) 7.105 ======================= Grid point 177 (82/91) ======================= q-point: ( 0.40 -0.27 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.065 ( -0.708 20.022 2.733) 20.220 2.340 ( -10.232 -8.992 -1.259) 13.680 2.412 ( -3.554 7.824 5.466) 10.184 2.565 ( -9.990 6.518 0.141) 11.929 2.932 ( 3.453 0.187 -3.973) 5.267 3.057 ( 1.908 -7.379 -8.652) 11.530 3.169 ( 9.084 -2.561 -0.189) 9.440 3.320 ( -0.957 -4.714 2.077) 5.239 3.421 ( 3.660 -4.412 -4.863) 7.517 3.508 ( 4.112 -1.529 1.425) 4.612 4.003 ( 2.677 2.988 -2.747) 4.863 4.077 ( -2.601 -6.095 0.358) 6.636 4.453 ( -7.072 -1.705 12.630) 14.575 4.549 ( 5.951 5.728 13.459) 15.791 5.290 ( -5.347 5.782 -15.763) 17.620 5.694 ( -5.014 4.641 1.910) 7.094 5.973 ( 1.364 -1.216 -8.282) 8.481 6.416 ( -2.064 2.923 0.120) 3.580 6.862 ( -13.302 8.369 2.231) 15.873 6.887 ( -1.013 1.834 -3.413) 4.005 7.068 ( 2.897 -0.539 0.703) 3.029 7.246 ( 2.067 -0.235 -0.544) 2.150 8.581 ( -2.773 1.108 19.764) 19.988 8.808 ( -0.347 1.958 -13.842) 13.984 8.870 ( 3.523 0.994 -4.978) 6.179 9.080 ( 0.712 -5.372 2.313) 5.892 9.189 ( 12.308 -5.921 -1.202) 13.710 9.351 ( 8.698 -15.356 0.696) 17.662 9.509 ( 4.201 -5.990 -0.586) 7.340 9.592 ( -2.052 -3.556 -1.411) 4.341 9.765 ( 14.230 -5.453 0.061) 15.239 10.031 ( -1.756 3.099 11.396) 11.940 10.322 ( 6.203 2.593 5.306) 8.565 10.361 ( -1.051 -9.007 6.185) 10.976 11.409 ( 1.017 -1.940 -4.426) 4.939 12.620 ( -7.602 14.288 -0.985) 16.215 12.785 ( -5.683 0.723 -2.393) 6.208 13.413 ( -0.733 0.736 0.279) 1.075 14.086 ( -10.750 -0.342 -6.964) 12.813 14.411 ( 15.697 -6.012 -4.809) 17.484 15.787 ( -4.917 6.544 8.740) 11.975 16.071 ( -4.113 1.419 7.179) 8.394 16.488 ( 11.989 -11.017 5.284) 17.118 18.046 ( -11.674 9.179 -4.824) 15.614 19.396 ( -3.208 15.101 -12.039) 19.577 19.761 ( 4.298 -9.445 -9.659) 14.176 19.883 ( -1.245 -3.618 9.420) 10.167 22.400 ( 3.198 -3.050 -5.841) 7.325 ======================= Grid point 189 (83/91) ======================= q-point: ( 0.54 -0.29 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.187 ( -3.567 12.948 3.357) 13.843 2.372 ( 4.218 -4.698 1.545) 6.500 2.529 ( 0.561 12.871 1.761) 13.003 2.676 ( -4.142 0.412 -9.403) 10.283 2.835 ( -0.101 -1.826 1.642) 2.458 2.928 ( 4.518 -2.111 1.540) 5.220 3.140 ( -2.917 3.726 2.845) 5.521 3.206 ( 1.195 -3.878 -8.813) 9.702 3.239 ( -0.777 -6.639 -7.329) 9.920 3.604 ( 1.734 -1.399 7.881) 8.190 3.949 ( -1.661 -0.111 1.801) 2.453 4.083 ( 0.911 -11.060 2.164) 11.307 4.736 ( 3.753 12.096 8.996) 15.535 4.859 ( -4.398 -0.324 12.717) 13.460 4.986 ( 0.206 1.088 -14.690) 14.731 5.684 ( 0.268 1.527 -5.913) 6.112 5.771 ( -0.047 -2.021 -8.879) 9.106 6.468 ( -0.220 6.194 0.538) 6.221 6.840 ( 0.166 2.428 -2.162) 3.255 6.974 ( 0.975 4.689 -0.817) 4.859 7.071 ( -0.649 -4.758 -1.026) 4.911 7.197 ( -0.388 6.243 -2.702) 6.813 8.532 ( -0.359 6.314 -13.788) 15.170 8.746 ( -1.439 0.461 -3.189) 3.528 8.925 ( 2.471 -8.265 -2.429) 8.962 9.053 ( 2.907 -1.797 1.037) 3.571 9.144 ( 1.344 -6.991 7.610) 10.421 9.193 ( -6.559 -12.397 2.874) 14.317 9.524 ( 0.690 1.255 6.797) 6.946 9.618 ( 1.850 -5.043 0.619) 5.407 9.753 ( -0.701 -12.051 11.559) 16.713 10.291 ( -1.450 7.853 11.203) 13.758 10.475 ( 1.592 -2.296 11.208) 11.551 10.503 ( -0.760 -7.472 8.424) 11.286 11.257 ( 0.295 -1.314 -8.455) 8.562 12.653 ( 0.238 14.912 -1.783) 15.020 12.810 ( -0.895 -0.479 -3.301) 3.453 13.419 ( -0.019 0.595 -0.345) 0.688 13.916 ( 3.973 1.515 -18.214) 18.703 14.193 ( -3.332 -5.568 -0.456) 6.505 16.042 ( 0.205 10.932 12.105) 16.312 16.356 ( -0.876 -6.733 9.947) 12.043 16.459 ( 0.772 -10.937 7.164) 13.098 18.005 ( 0.431 6.514 -7.475) 9.924 19.261 ( -10.418 10.086 -15.646) 21.332 19.351 ( 10.077 1.700 -16.220) 19.171 20.122 ( -0.006 -2.997 12.014) 12.382 22.230 ( -0.050 -4.299 -5.808) 7.226 ======================= Grid point 202 (84/91) ======================= q-point: (-0.31 -0.31 0.31) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.377 ( -0.000 -0.000 1.570) 1.570 2.377 ( -0.000 -0.000 1.570) 1.570 2.549 ( 0.000 0.000 -5.591) 5.591 2.549 ( 0.000 0.000 -5.591) 5.591 2.885 ( -0.000 -0.000 5.801) 5.801 2.897 ( 0.000 0.000 -9.768) 9.768 2.897 ( 0.000 0.000 -9.768) 9.768 3.193 ( -0.000 -0.000 12.212) 12.212 3.343 ( -0.000 -0.000 7.260) 7.260 3.823 ( -0.000 -0.000 6.145) 6.145 3.949 ( -0.000 -0.000 0.470) 0.470 3.949 ( -0.000 -0.000 0.470) 0.470 4.556 ( 0.000 0.000 -19.524) 19.524 5.107 ( -0.000 -0.000 9.597) 9.597 5.107 ( -0.000 -0.000 9.597) 9.597 5.496 ( 0.000 0.000 -10.723) 10.723 5.568 ( 0.000 0.000 -7.599) 7.599 6.554 ( 0.000 0.000 -0.083) 0.083 6.896 ( -0.000 -0.000 3.296) 3.296 6.924 ( 0.000 0.000 -5.015) 5.015 6.924 ( 0.000 0.000 -5.015) 5.015 7.229 ( 0.000 0.000 -3.238) 3.238 8.397 ( 0.000 0.000 -9.613) 9.613 8.662 ( 0.000 0.000 -4.244) 4.244 8.662 ( 0.000 0.000 -4.244) 4.244 9.030 ( 0.000 0.000 -0.338) 0.338 9.030 ( 0.000 0.000 -0.338) 0.338 9.176 ( 0.000 0.000 -0.245) 0.245 9.596 ( -0.000 -0.000 1.839) 1.839 9.596 ( -0.000 -0.000 1.839) 1.839 10.334 ( -0.000 -0.000 38.047) 38.047 10.618 ( -0.000 -0.000 9.430) 9.430 10.618 ( -0.000 -0.000 9.430) 9.430 10.665 ( -0.000 -0.000 10.165) 10.165 11.038 ( 0.000 0.000 -10.302) 10.302 12.762 ( 0.000 0.000 -1.879) 1.879 12.762 ( 0.000 0.000 -1.879) 1.879 13.396 ( 0.000 0.000 -2.184) 2.184 13.459 ( 0.000 0.000 -23.396) 23.396 14.163 ( -0.000 -0.000 1.442) 1.442 16.322 ( -0.000 -0.000 0.268) 0.268 16.508 ( -0.000 -0.000 10.717) 10.717 16.508 ( -0.000 -0.000 10.717) 10.717 17.924 ( 0.000 0.000 -3.257) 3.257 19.009 ( 0.000 0.000 -18.743) 18.743 19.009 ( 0.000 0.000 -18.743) 18.743 20.316 ( -0.000 -0.000 8.124) 8.124 22.137 ( -0.000 -0.000 1.823) 1.823 ======================= Grid point 216 (85/91) ======================= q-point: ( 0.33 -0.33 0.33) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 Number of triplets: 172 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.814 ( -17.419 20.175 -0.000) 26.654 1.965 ( -1.427 23.780 -0.000) 23.823 2.533 ( 13.972 -10.456 0.000) 17.451 2.746 ( 5.445 -2.742 0.000) 6.097 2.905 ( -4.479 4.176 -0.000) 6.124 3.214 ( 6.921 5.138 0.000) 8.619 3.238 ( -4.806 -10.957 0.000) 11.965 3.315 ( 1.048 -6.194 0.000) 6.282 3.371 ( -2.751 -0.180 -0.000) 2.757 3.713 ( -4.838 -9.616 0.000) 10.765 3.828 ( 10.946 15.697 -0.000) 19.136 4.058 ( -6.326 5.938 -0.000) 8.676 4.260 ( 7.508 -3.368 0.000) 8.229 4.458 ( -6.973 -5.968 -0.000) 9.178 5.442 ( -1.099 14.966 -0.000) 15.006 5.535 ( 0.795 2.917 -0.000) 3.024 6.091 ( -0.725 -1.371 0.000) 1.551 6.447 ( -0.874 -5.668 0.000) 5.735 6.708 ( 3.389 13.700 -0.000) 14.113 6.934 ( 0.679 -0.145 0.000) 0.694 7.110 ( -0.190 -2.648 0.000) 2.655 7.192 ( -4.449 0.855 -0.000) 4.531 8.345 ( 0.457 0.488 -0.000) 0.668 8.833 ( -5.909 5.139 -0.000) 7.831 8.908 ( 2.308 1.452 0.000) 2.727 9.065 ( -2.926 2.084 -0.000) 3.592 9.320 ( 9.108 -6.892 0.000) 11.421 9.367 ( -1.957 -5.821 0.000) 6.142 9.598 ( -2.764 -4.705 0.000) 5.457 9.692 ( 5.196 -3.913 0.000) 6.505 9.889 ( -2.094 -8.651 0.000) 8.901 10.122 ( -0.856 5.002 -0.000) 5.075 10.192 ( -5.202 -35.163 0.000) 35.546 10.541 ( 2.823 -13.941 0.000) 14.224 11.458 ( 1.910 -0.044 0.000) 1.910 12.349 ( -5.584 19.997 -0.000) 20.762 12.980 ( 1.985 -7.402 0.000) 7.664 13.378 ( -0.015 3.033 -0.000) 3.033 14.124 ( 17.511 6.722 0.000) 18.757 14.510 ( -14.796 -8.994 -0.000) 17.315 15.415 ( -1.096 17.016 -0.000) 17.051 16.265 ( 5.293 -10.030 0.000) 11.341 16.473 ( -4.279 -11.069 0.000) 11.867 17.982 ( 4.553 13.200 -0.000) 13.963 19.375 ( -13.822 14.293 -0.000) 19.883 19.703 ( 0.030 2.738 -0.000) 2.739 20.057 ( 10.453 -14.250 0.000) 17.672 22.513 ( -0.132 -4.191 0.000) 4.193 ======================= Grid point 219 (86/91) ======================= q-point: ( 0.33 -0.33 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.038 ( -0.969 21.183 -0.000) 21.205 2.323 ( -5.941 10.691 -0.000) 12.231 2.374 ( -5.817 -12.220 0.000) 13.534 2.563 ( -11.726 4.165 -0.000) 12.444 2.982 ( 2.771 1.167 0.000) 3.007 3.171 ( 8.786 -4.762 0.000) 9.993 3.238 ( -4.318 -2.428 -0.000) 4.954 3.248 ( 8.842 -10.297 0.000) 13.573 3.397 ( 5.073 -2.218 0.000) 5.537 3.522 ( 4.260 -2.655 0.000) 5.020 4.087 ( -1.799 6.226 -0.000) 6.480 4.127 ( -14.647 -0.118 -0.000) 14.647 4.261 ( 1.518 -6.542 0.000) 6.716 4.358 ( 9.635 4.242 0.000) 10.527 5.538 ( -3.735 3.021 -0.000) 4.804 5.596 ( -8.226 8.919 -0.000) 12.134 6.072 ( 1.742 -1.445 0.000) 2.263 6.414 ( -0.983 1.756 -0.000) 2.012 6.833 ( -14.048 10.647 -0.000) 17.627 6.929 ( -0.628 0.220 -0.000) 0.666 7.055 ( 1.849 -0.795 0.000) 2.013 7.248 ( 2.718 0.344 0.000) 2.740 8.350 ( -1.080 0.756 -0.000) 1.318 8.946 ( 6.360 6.022 0.000) 8.759 9.021 ( -3.032 -2.728 -0.000) 4.078 9.028 ( 0.712 -7.753 0.000) 7.786 9.140 ( 11.734 -4.683 0.000) 12.634 9.355 ( 3.062 -14.809 0.000) 15.123 9.520 ( 8.413 -2.823 0.000) 8.874 9.636 ( -1.704 -7.957 0.000) 8.137 9.780 ( 16.139 -5.632 0.000) 17.094 9.867 ( -2.290 3.683 -0.000) 4.337 10.256 ( 6.145 2.710 0.000) 6.716 10.302 ( -1.017 -9.381 0.000) 9.436 11.456 ( 1.002 -1.896 0.000) 2.144 12.631 ( -7.104 15.540 -0.000) 17.087 12.812 ( -6.028 -0.671 -0.000) 6.065 13.409 ( -0.839 0.846 -0.000) 1.191 14.151 ( -8.201 -2.948 -0.000) 8.715 14.474 ( 13.739 -3.973 0.000) 14.302 15.690 ( -4.881 7.701 -0.000) 9.117 15.991 ( -5.946 1.269 -0.000) 6.080 16.430 ( 12.328 -10.418 0.000) 16.140 18.100 ( -12.704 9.732 -0.000) 16.003 19.552 ( 1.945 14.735 -0.000) 14.863 19.730 ( -1.138 1.120 -0.000) 1.597 19.889 ( 1.818 -16.223 0.000) 16.325 22.468 ( 2.875 -2.773 0.000) 3.994 ======================= Grid point 231 (87/91) ======================= q-point: ( 0.48 -0.35 0.35) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 Number of triplets: 288 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.145 ( -7.757 13.714 0.918) 15.782 2.354 ( 8.147 -5.570 0.359) 9.875 2.439 ( -1.100 16.411 5.594) 17.373 2.760 ( 2.414 -0.804 3.403) 4.249 2.887 ( -5.600 -1.034 -9.320) 10.922 2.970 ( 5.100 -4.215 -4.289) 7.885 3.090 ( -2.787 -3.646 -0.723) 4.645 3.326 ( 2.052 -2.547 0.529) 3.313 3.366 ( -0.064 -4.922 -1.068) 5.037 3.495 ( -0.934 -5.005 0.801) 5.154 3.970 ( -1.036 4.880 -5.239) 7.235 4.076 ( 1.826 -6.254 -2.853) 7.112 4.463 ( 2.773 8.755 14.381) 17.063 4.566 ( -3.502 -1.465 13.994) 14.499 5.344 ( -0.112 4.187 -15.912) 16.454 5.740 ( 0.101 4.337 0.730) 4.399 5.959 ( -0.000 -1.632 -8.121) 8.283 6.454 ( -0.310 4.869 0.763) 4.939 6.898 ( 0.319 2.608 -2.719) 3.781 6.969 ( 1.594 6.852 0.824) 7.083 7.070 ( -0.915 -3.340 0.751) 3.543 7.228 ( -0.998 4.291 -0.427) 4.426 8.599 ( 0.647 2.954 19.675) 19.906 8.816 ( -1.376 1.775 -10.089) 10.336 8.846 ( -0.497 0.842 -4.154) 4.267 9.053 ( -3.184 -2.947 -1.109) 4.478 9.117 ( 3.331 -9.971 -3.550) 11.096 9.160 ( 1.530 -11.325 1.568) 11.535 9.472 ( 0.485 -8.146 -0.003) 8.160 9.621 ( 3.138 -3.302 -0.663) 4.603 9.669 ( -4.259 -12.467 0.103) 13.175 10.053 ( -0.593 5.434 11.093) 12.366 10.269 ( -0.571 0.319 7.412) 7.441 10.362 ( 1.111 -9.180 4.911) 10.470 11.393 ( 0.228 -1.270 -4.427) 4.611 12.687 ( -1.526 15.593 -1.320) 15.723 12.867 ( 0.983 -2.147 -2.017) 3.106 13.419 ( -0.001 1.035 0.184) 1.052 14.152 ( 7.944 0.341 -2.341) 8.289 14.279 ( -7.476 -4.881 -8.979) 12.662 15.816 ( -0.499 14.222 8.399) 16.525 16.184 ( 1.819 -5.922 6.112) 8.702 16.318 ( -1.292 -11.839 5.460) 13.102 18.153 ( 0.790 9.397 -5.668) 11.003 19.514 ( -9.574 9.143 -8.316) 15.634 19.639 ( 8.110 -1.692 -10.234) 13.167 19.893 ( 0.845 -5.096 8.555) 9.993 22.369 ( -0.046 -3.670 -6.100) 7.119 ======================= Grid point 244 (88/91) ======================= q-point: ( 0.62 -0.38 0.38) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 Number of triplets: 91 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.319 ( -0.000 -0.000 2.374) 2.374 2.319 ( -0.000 -0.000 2.374) 2.374 2.683 ( 0.000 0.000 -7.730) 7.730 2.683 ( 0.000 0.000 -7.730) 7.730 2.805 ( -0.000 -0.000 2.170) 2.170 2.902 ( -0.000 -0.000 14.256) 14.256 3.155 ( 0.000 0.000 -11.883) 11.883 3.155 ( 0.000 0.000 -11.883) 11.883 3.183 ( -0.000 -0.000 7.770) 7.770 3.632 ( -0.000 -0.000 9.962) 9.962 3.943 ( 0.000 0.000 -0.346) 0.346 3.943 ( 0.000 0.000 -0.346) 0.346 4.857 ( -0.000 -0.000 13.748) 13.748 4.857 ( -0.000 -0.000 13.748) 13.748 4.992 ( 0.000 0.000 -20.762) 20.762 5.694 ( 0.000 0.000 -7.261) 7.261 5.750 ( 0.000 0.000 -9.552) 9.552 6.546 ( -0.000 -0.000 0.835) 0.835 6.879 ( 0.000 0.000 -1.277) 1.277 7.006 ( 0.000 0.000 -2.440) 2.440 7.006 ( 0.000 0.000 -2.440) 2.440 7.283 ( 0.000 0.000 -1.605) 1.605 8.657 ( 0.000 0.000 -14.707) 14.707 8.741 ( 0.000 0.000 -3.855) 3.855 8.741 ( 0.000 0.000 -3.855) 3.855 9.049 ( 0.000 0.000 -0.919) 0.919 9.049 ( 0.000 0.000 -0.919) 0.919 9.090 ( -0.000 -0.000 12.740) 12.740 9.575 ( -0.000 -0.000 0.058) 0.058 9.575 ( -0.000 -0.000 0.058) 0.058 9.613 ( -0.000 -0.000 25.319) 25.319 10.401 ( -0.000 -0.000 13.969) 13.969 10.425 ( -0.000 -0.000 8.734) 8.734 10.425 ( -0.000 -0.000 8.734) 8.734 11.245 ( 0.000 0.000 -8.485) 8.485 12.807 ( 0.000 0.000 -2.257) 2.257 12.807 ( 0.000 0.000 -2.257) 2.257 13.424 ( 0.000 0.000 -0.616) 0.616 13.923 ( 0.000 0.000 -19.997) 19.997 14.137 ( -0.000 -0.000 1.121) 1.121 16.210 ( -0.000 -0.000 8.681) 8.681 16.292 ( -0.000 -0.000 9.558) 9.558 16.292 ( -0.000 -0.000 9.558) 9.558 18.070 ( 0.000 0.000 -9.209) 9.209 19.362 ( 0.000 0.000 -14.626) 14.626 19.362 ( 0.000 0.000 -14.626) 14.626 20.093 ( -0.000 -0.000 12.322) 12.322 22.187 ( 0.000 0.000 -5.895) 5.895 ======================= Grid point 278 (89/91) ======================= q-point: ( 0.42 -0.42 0.42) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 Number of triplets: 162 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.138 ( -9.329 13.485 -0.000) 16.397 2.353 ( 9.015 -7.734 0.000) 11.878 2.366 ( -1.148 17.696 -0.000) 17.733 2.724 ( 3.085 0.996 0.000) 3.242 2.963 ( -1.471 1.362 -0.000) 2.004 3.060 ( -3.165 -7.185 0.000) 7.851 3.153 ( 1.296 -10.646 0.000) 10.724 3.263 ( 3.154 2.504 0.000) 4.028 3.337 ( -1.805 -2.147 0.000) 2.804 3.502 ( -0.709 -9.502 0.000) 9.529 4.144 ( -3.802 3.018 -0.000) 4.854 4.170 ( 5.455 14.242 -0.000) 15.251 4.200 ( 3.958 -2.719 0.000) 4.802 4.354 ( -5.147 -4.606 -0.000) 6.907 5.569 ( 0.209 0.486 -0.000) 0.529 5.680 ( -0.194 9.533 -0.000) 9.535 6.056 ( -0.022 -1.858 0.000) 1.858 6.444 ( -0.287 3.993 -0.000) 4.003 6.929 ( 0.581 4.159 -0.000) 4.199 6.958 ( 0.871 5.998 -0.000) 6.061 7.058 ( 0.072 -2.640 0.000) 2.641 7.230 ( -1.618 3.910 -0.000) 4.231 8.361 ( 0.103 0.961 -0.000) 0.966 8.922 ( -4.512 4.253 -0.000) 6.201 8.929 ( 1.366 0.771 0.000) 1.568 9.050 ( 1.917 -4.260 0.000) 4.672 9.105 ( -1.387 -15.682 0.000) 15.744 9.205 ( 4.173 -4.976 0.000) 6.494 9.471 ( -1.189 -10.899 0.000) 10.964 9.633 ( 3.196 -2.230 0.000) 3.897 9.690 ( -3.920 -12.906 0.000) 13.488 9.901 ( -0.478 4.566 -0.000) 4.591 10.189 ( -0.610 2.187 -0.000) 2.270 10.309 ( 1.157 -9.861 0.000) 9.929 11.440 ( 0.219 -1.301 0.000) 1.320 12.702 ( -2.046 15.798 -0.000) 15.930 12.889 ( 1.507 -2.679 0.000) 3.074 13.416 ( -0.002 1.182 -0.000) 1.182 14.165 ( 4.605 -2.924 0.000) 5.455 14.389 ( -4.144 -2.351 -0.000) 4.765 15.724 ( -0.855 15.540 -0.000) 15.563 16.117 ( 3.205 -5.482 0.000) 6.350 16.257 ( -2.364 -11.891 0.000) 12.124 18.215 ( 0.961 10.485 -0.000) 10.529 19.602 ( -8.081 9.125 -0.000) 12.189 19.741 ( 0.005 1.270 -0.000) 1.270 19.808 ( 7.313 -11.160 0.000) 13.342 22.439 ( -0.033 -3.287 0.000) 3.287 ======================= Grid point 292 (90/91) ======================= q-point: ( 0.56 -0.44 0.44) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 Number of triplets: 80 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.285 ( -0.000 -0.000 0.983) 0.983 2.285 ( -0.000 -0.000 0.983) 0.983 2.645 ( -0.000 -0.000 9.379) 9.379 2.784 ( -0.000 -0.000 0.090) 0.090 2.870 ( 0.000 0.000 -9.126) 9.126 2.870 ( 0.000 0.000 -9.126) 9.126 3.035 ( -0.000 -0.000 5.899) 5.899 3.314 ( 0.000 0.000 -2.554) 2.554 3.314 ( 0.000 0.000 -2.554) 2.554 3.456 ( -0.000 -0.000 6.217) 6.217 4.006 ( 0.000 0.000 -6.723) 6.723 4.006 ( 0.000 0.000 -6.723) 6.723 4.553 ( -0.000 -0.000 14.790) 14.790 4.553 ( -0.000 -0.000 14.790) 14.790 5.380 ( 0.000 0.000 -15.346) 15.346 5.783 ( 0.000 0.000 -1.202) 1.202 5.943 ( 0.000 0.000 -7.993) 7.993 6.521 ( -0.000 -0.000 1.375) 1.375 6.924 ( 0.000 0.000 -2.338) 2.338 7.029 ( 0.000 0.000 -0.110) 0.110 7.029 ( 0.000 0.000 -0.110) 0.110 7.296 ( -0.000 -0.000 0.040) 0.040 8.633 ( -0.000 -0.000 22.676) 22.676 8.837 ( 0.000 0.000 -5.307) 5.307 8.837 ( 0.000 0.000 -5.307) 5.307 8.972 ( 0.000 0.000 -13.951) 13.951 9.040 ( -0.000 -0.000 2.228) 2.228 9.040 ( -0.000 -0.000 2.228) 2.228 9.373 ( -0.000 -0.000 3.519) 3.519 9.592 ( 0.000 0.000 -1.375) 1.375 9.592 ( 0.000 0.000 -1.375) 1.375 10.113 ( -0.000 -0.000 12.615) 12.615 10.270 ( -0.000 -0.000 5.599) 5.599 10.270 ( -0.000 -0.000 5.599) 5.599 11.380 ( 0.000 0.000 -4.369) 4.369 12.849 ( 0.000 0.000 -1.563) 1.563 12.849 ( 0.000 0.000 -1.563) 1.563 13.428 ( -0.000 -0.000 0.052) 0.052 14.117 ( -0.000 -0.000 0.698) 0.698 14.259 ( 0.000 0.000 -11.470) 11.470 16.031 ( -0.000 -0.000 7.105) 7.105 16.127 ( -0.000 -0.000 5.756) 5.756 16.127 ( -0.000 -0.000 5.756) 5.756 18.249 ( 0.000 0.000 -6.838) 6.838 19.604 ( 0.000 0.000 -8.207) 8.207 19.604 ( 0.000 0.000 -8.207) 8.207 19.854 ( -0.000 -0.000 9.191) 9.191 22.331 ( 0.000 0.000 -6.435) 6.435 ======================= Grid point 336 (91/91) ======================= q-point: (-0.50 0.50 -0.50) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 4.65e-08 4.65e-08 4.65e-08 4.65e-08 2.71e-05 2.71e-05 Number of triplets: 55 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.275 ( 0.000 0.000 -0.000) 0.000 2.275 ( -0.000 0.000 -0.000) 0.000 2.542 ( -0.000 0.000 -0.000) 0.000 2.787 ( -0.000 0.000 -0.000) 0.000 2.966 ( 0.000 0.000 -0.000) 0.000 2.990 ( -0.000 -0.000 0.000) 0.000 2.990 ( 0.000 0.000 -0.000) 0.000 3.313 ( 0.000 -0.000 0.000) 0.000 3.313 ( -0.000 0.000 -0.000) 0.000 3.389 ( 0.000 0.000 -0.000) 0.000 4.172 ( 0.000 0.000 -0.000) 0.000 4.172 ( 0.000 0.000 -0.000) 0.000 4.306 ( -0.000 0.000 -0.000) 0.000 4.306 ( -0.000 0.000 -0.000) 0.000 5.569 ( 0.000 0.000 -0.000) 0.000 5.773 ( 0.000 0.000 -0.000) 0.000 6.037 ( -0.000 0.000 -0.000) 0.000 6.503 ( -0.000 0.000 -0.000) 0.000 6.952 ( 0.000 0.000 -0.000) 0.000 7.027 ( -0.000 0.000 -0.000) 0.000 7.027 ( 0.000 0.000 -0.000) 0.000 7.294 ( 0.000 0.000 -0.000) 0.000 8.372 ( -0.000 0.000 -0.000) 0.000 8.936 ( -0.000 0.000 -0.000) 0.000 8.936 ( 0.000 0.000 -0.000) 0.000 8.973 ( 0.000 0.000 -0.000) 0.000 8.973 ( -0.000 0.000 -0.000) 0.000 9.146 ( -0.000 0.000 -0.000) 0.000 9.342 ( 0.000 0.000 -0.000) 0.000 9.611 ( -0.000 0.000 -0.000) 0.000 9.611 ( -0.000 0.000 -0.000) 0.000 9.954 ( 0.000 0.000 -0.000) 0.000 10.209 ( 0.000 0.000 -0.000) 0.000 10.209 ( -0.000 0.000 -0.000) 0.000 11.426 ( 0.000 0.000 -0.000) 0.000 12.866 ( -0.000 0.000 -0.000) 0.000 12.866 ( -0.000 0.000 -0.000) 0.000 13.427 ( -0.000 0.000 -0.000) 0.000 14.110 ( 0.000 -0.000 0.000) 0.000 14.382 ( 0.000 0.000 -0.000) 0.000 15.952 ( 0.000 0.000 -0.000) 0.000 16.065 ( -0.000 0.000 -0.000) 0.000 16.065 ( -0.000 0.000 -0.000) 0.000 18.324 ( 0.000 0.000 0.000) 0.000 19.692 ( -0.000 0.000 -0.000) 0.000 19.692 ( -0.000 0.000 -0.000) 0.000 19.752 ( 0.000 0.000 -0.000) 0.000 22.406 ( -0.000 0.000 -0.000) 0.000 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/27648 10.0 2306.941 2306.941 1892.508 -0.000 0.000 0.000 3/27648 20.0 420.766 420.766 398.205 -0.000 0.000 0.000 3/27648 30.0 158.853 158.853 150.742 -0.000 0.000 0.000 3/27648 40.0 84.468 84.468 80.443 -0.000 0.000 0.000 3/27648 50.0 53.693 53.693 51.340 -0.000 0.000 0.000 3/27648 60.0 38.023 38.023 36.480 -0.000 0.000 0.000 3/27648 70.0 28.912 28.912 27.818 -0.000 0.000 0.000 3/27648 80.0 23.104 23.104 22.285 -0.000 0.000 0.000 3/27648 90.0 19.146 19.146 18.506 -0.000 0.000 0.000 3/27648 100.0 16.308 16.308 15.791 -0.000 0.000 0.000 3/27648 110.0 14.190 14.190 13.760 -0.000 0.000 0.000 3/27648 120.0 12.557 12.557 12.192 -0.000 0.000 0.000 3/27648 130.0 11.264 11.264 10.947 -0.000 0.000 0.000 3/27648 140.0 10.217 10.217 9.938 -0.000 0.000 0.000 3/27648 150.0 9.353 9.353 9.104 -0.000 0.000 0.000 3/27648 160.0 8.628 8.628 8.404 -0.000 0.000 0.000 3/27648 170.0 8.011 8.011 7.808 -0.000 0.000 0.000 3/27648 180.0 7.480 7.480 7.294 -0.000 0.000 0.000 3/27648 190.0 7.018 7.018 6.847 -0.000 0.000 0.000 3/27648 200.0 6.613 6.613 6.454 -0.000 0.000 0.000 3/27648 210.0 6.253 6.253 6.106 -0.000 0.000 0.000 3/27648 220.0 5.933 5.933 5.795 -0.000 0.000 0.000 3/27648 230.0 5.645 5.645 5.516 -0.000 0.000 0.000 3/27648 240.0 5.384 5.384 5.263 -0.000 0.000 0.000 3/27648 250.0 5.148 5.148 5.034 -0.000 0.000 0.000 3/27648 260.0 4.933 4.933 4.825 -0.000 0.000 0.000 3/27648 270.0 4.735 4.735 4.633 -0.000 0.000 0.000 3/27648 280.0 4.553 4.553 4.456 -0.000 0.000 0.000 3/27648 290.0 4.385 4.385 4.293 -0.000 0.000 0.000 3/27648 300.0 4.230 4.230 4.142 -0.000 0.000 0.000 3/27648 310.0 4.085 4.085 4.001 -0.000 0.000 0.000 3/27648 320.0 3.950 3.950 3.870 -0.000 0.000 0.000 3/27648 330.0 3.825 3.825 3.748 -0.000 0.000 0.000 3/27648 340.0 3.707 3.707 3.633 -0.000 0.000 0.000 3/27648 350.0 3.596 3.596 3.525 -0.000 0.000 0.000 3/27648 360.0 3.492 3.492 3.424 -0.000 0.000 0.000 3/27648 370.0 3.394 3.394 3.328 -0.000 0.000 0.000 3/27648 380.0 3.301 3.301 3.238 -0.000 0.000 0.000 3/27648 390.0 3.214 3.214 3.153 -0.000 0.000 0.000 3/27648 400.0 3.131 3.131 3.072 -0.000 0.000 0.000 3/27648 410.0 3.052 3.052 2.995 -0.000 0.000 0.000 3/27648 420.0 2.977 2.977 2.922 -0.000 0.000 0.000 3/27648 430.0 2.906 2.906 2.853 -0.000 0.000 0.000 3/27648 440.0 2.838 2.838 2.787 -0.000 0.000 0.000 3/27648 450.0 2.774 2.774 2.723 -0.000 0.000 0.000 3/27648 460.0 2.712 2.712 2.663 -0.000 0.000 0.000 3/27648 470.0 2.653 2.653 2.606 -0.000 0.000 0.000 3/27648 480.0 2.596 2.596 2.550 -0.000 0.000 0.000 3/27648 490.0 2.542 2.542 2.498 -0.000 0.000 0.000 3/27648 500.0 2.490 2.490 2.447 -0.000 0.000 0.000 3/27648 510.0 2.441 2.441 2.398 -0.000 0.000 0.000 3/27648 520.0 2.393 2.393 2.351 -0.000 0.000 0.000 3/27648 530.0 2.347 2.347 2.307 -0.000 0.000 0.000 3/27648 540.0 2.303 2.303 2.263 -0.000 0.000 0.000 3/27648 550.0 2.260 2.260 2.222 -0.000 0.000 0.000 3/27648 560.0 2.219 2.219 2.182 -0.000 0.000 0.000 3/27648 570.0 2.180 2.180 2.143 -0.000 0.000 0.000 3/27648 580.0 2.142 2.142 2.106 -0.000 0.000 0.000 3/27648 590.0 2.105 2.105 2.070 -0.000 0.000 0.000 3/27648 600.0 2.069 2.069 2.035 -0.000 0.000 0.000 3/27648 610.0 2.035 2.035 2.001 -0.000 0.000 0.000 3/27648 620.0 2.002 2.002 1.969 -0.000 0.000 0.000 3/27648 630.0 1.970 1.970 1.937 -0.000 0.000 0.000 3/27648 640.0 1.939 1.939 1.907 -0.000 0.000 0.000 3/27648 650.0 1.908 1.908 1.877 -0.000 0.000 0.000 3/27648 660.0 1.879 1.879 1.848 -0.000 0.000 0.000 3/27648 670.0 1.851 1.851 1.821 -0.000 0.000 0.000 3/27648 680.0 1.823 1.823 1.794 -0.000 0.000 0.000 3/27648 690.0 1.797 1.797 1.768 -0.000 0.000 0.000 3/27648 700.0 1.771 1.771 1.742 -0.000 0.000 0.000 3/27648 710.0 1.746 1.746 1.717 -0.000 0.000 0.000 3/27648 720.0 1.721 1.721 1.693 -0.000 0.000 0.000 3/27648 730.0 1.697 1.697 1.670 -0.000 0.000 0.000 3/27648 740.0 1.674 1.674 1.647 -0.000 0.000 0.000 3/27648 750.0 1.652 1.652 1.625 -0.000 0.000 0.000 3/27648 760.0 1.630 1.630 1.604 -0.000 0.000 0.000 3/27648 770.0 1.609 1.609 1.583 -0.000 0.000 0.000 3/27648 780.0 1.588 1.588 1.563 -0.000 0.000 0.000 3/27648 790.0 1.568 1.568 1.543 -0.000 0.000 0.000 3/27648 800.0 1.548 1.548 1.523 -0.000 0.000 0.000 3/27648 810.0 1.529 1.529 1.504 -0.000 0.000 0.000 3/27648 820.0 1.510 1.510 1.486 -0.000 0.000 0.000 3/27648 830.0 1.492 1.492 1.468 -0.000 0.000 0.000 3/27648 840.0 1.474 1.474 1.450 -0.000 0.000 0.000 3/27648 850.0 1.456 1.456 1.433 -0.000 0.000 0.000 3/27648 860.0 1.439 1.439 1.417 -0.000 0.000 0.000 3/27648 870.0 1.423 1.423 1.400 -0.000 0.000 0.000 3/27648 880.0 1.406 1.406 1.384 -0.000 0.000 0.000 3/27648 890.0 1.390 1.390 1.369 -0.000 0.000 0.000 3/27648 900.0 1.375 1.375 1.353 -0.000 0.000 0.000 3/27648 910.0 1.360 1.360 1.339 -0.000 0.000 0.000 3/27648 920.0 1.345 1.345 1.324 -0.000 0.000 0.000 3/27648 930.0 1.330 1.330 1.310 -0.000 0.000 0.000 3/27648 940.0 1.316 1.316 1.296 -0.000 0.000 0.000 3/27648 950.0 1.302 1.302 1.282 -0.000 0.000 0.000 3/27648 960.0 1.289 1.289 1.269 -0.000 0.000 0.000 3/27648 970.0 1.275 1.275 1.256 -0.000 0.000 0.000 3/27648 980.0 1.262 1.262 1.243 -0.000 0.000 0.000 3/27648 990.0 1.249 1.249 1.230 -0.000 0.000 0.000 3/27648 1000.0 1.237 1.237 1.218 -0.000 0.000 0.000 3/27648 Thermal conductivity related properties were written into "kappa-m2648.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-08 06:26:10]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|